N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide

C17H26N6O — CID 166307982

IUPACN-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC1(C)[C@H]2CC=C(CCNC(=O)N3CCC(c4nn[nH]n4)C3)[C@@H]1C2
InChIInChI=1S/C17H26N6O/c1-17(2)13-4-3-11(14(17)9-13)5-7-18-16(24)23-8-6-12(10-23)15-19-21-22-20-15/h3,12-14H,4-10H2,1-2H3,(H,18,24)(H,19,20,21,22)/t12?,13-,14-/m0/s1
InChIKeyOFULGEQRCYFAFW-TTZKSVMKSA-N
MW330.44 g/mol
LogP2.08
Rot. Bonds4

About N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide

N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 166307982) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID166307982
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide
SMILESCC1(C)[C@H]2CC=C(CCNC(=O)N3CCC(c4nn[nH]n4)C3)[C@@H]1C2
InChIInChI=1S/C17H26N6O/c1-17(2)13-4-3-11(14(17)9-13)5-7-18-16(24)23-8-6-12(10-23)15-19-21-22-20-15/h3,12-14H,4-10H2,1-2H3,(H,18,24)(H,19,20,21,22)/t12?,13-,14-/m0/s1
InChIKeyOFULGEQRCYFAFW-TTZKSVMKSA-N
XLogP2.08
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-methyl-1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 167851854
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-2-(triazol-1-yl)acetamide
CID 118764894
1-[3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 154843219
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]pyrrolidine-1-sulfonamide
CID 131916183
tert-butyl N-[1-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]cyclobutyl]carbamate
CID 166299406
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-pyrazin-2-ylpropanamide
CID 118789106
[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 100879654
3-(2H-tetrazol-5-yl)azetidine-1-carboxylic acid
CID 67107417
4-cyclohexyl-1-[(3S)-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 164639816
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 126445479
(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 75435150
tetrakis((6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol);titanium
CID 177408471

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide (CID 166307982) is N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide is CC1(C)[C@H]2CC=C(CCNC(=O)N3CCC(c4nn[nH]n4)C3)[C@@H]1C2.
What is the InChIKey of N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is OFULGEQRCYFAFW-TTZKSVMKSA-N. The full InChI is InChI=1S/C17H26N6O/c1-17(2)13-4-3-11(14(17)9-13)5-7-18-16(24)23-8-6-12(10-23)15-19-21-22-20-15/h3,12-14H,4-10H2,1-2H3,(H,18,24)(H,19,20,21,22)/t12?,13-,14-/m0/s1.
What are the key properties of N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide?
N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethyl]-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 166307982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).