N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide

C14H18N6O — CID 166303306

IUPACN-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
SMILESO=C(NC1(c2nn[nH]n2)CCCC1)c1cc2n(c1)CCC2
InChIInChI=1S/C14H18N6O/c21-12(10-8-11-4-3-7-20(11)9-10)15-14(5-1-2-6-14)13-16-18-19-17-13/h8-9H,1-7H2,(H,15,21)(H,16,17,18,19)
InChIKeyGNBQPVCAACEZBE-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.15
Rot. Bonds3

About N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide

N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide (PubChem CID 166303306) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
PubChem CID166303306
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
SMILESO=C(NC1(c2nn[nH]n2)CCCC1)c1cc2n(c1)CCC2
InChIInChI=1S/C14H18N6O/c21-12(10-8-11-4-3-7-20(11)9-10)15-14(5-1-2-6-14)13-16-18-19-17-13/h8-9H,1-7H2,(H,15,21)(H,16,17,18,19)
InChIKeyGNBQPVCAACEZBE-UHFFFAOYSA-N
XLogP1.15
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide (CID 166303306) is N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide is O=C(NC1(c2nn[nH]n2)CCCC1)c1cc2n(c1)CCC2.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide?
The InChIKey is GNBQPVCAACEZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-12(10-8-11-4-3-7-20(11)9-10)15-14(5-1-2-6-14)13-16-18-19-17-13/h8-9H,1-7H2,(H,15,21)(H,16,17,18,19).
What are the key properties of N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide?
N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide is sourced from PubChem (CID 166303306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).