(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide

C15H17N5O — CID 125447493

IUPAC(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CC=CCC1
InChIInChI=1S/C15H17N5O/c21-15(12-6-2-1-3-7-12)16-10-11-5-4-8-13(9-11)14-17-19-20-18-14/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,16,21)(H,17,18,19,20)/t12-/m0/s1
InChIKeyHIXKZISOVYXRES-LBPRGKRZSA-N
MW283.33 g/mol
LogP1.84
Rot. Bonds4

About (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 125447493) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID125447493
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CC=CCC1
InChIInChI=1S/C15H17N5O/c21-15(12-6-2-1-3-7-12)16-10-11-5-4-8-13(9-11)14-17-19-20-18-14/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,16,21)(H,17,18,19,20)/t12-/m0/s1
InChIKeyHIXKZISOVYXRES-LBPRGKRZSA-N
XLogP1.84
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

1-(oxolane-2-carbonyl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-4-carboxamide
CID 91844312
N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
N-[3-[(cyclohex-3-ene-1-carbonylamino)methyl]phenyl]-4-fluorobenzamide
CID 55894282
N-[(2R)-butan-2-yl]-3-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]benzamide
CID 94181986
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
CID 119106241
(1S)-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 99877543
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 56791232
(1S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 95628511
(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 94565002
N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64767366
(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride
CID 154902918
N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide
CID 91764192

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide (CID 125447493) is (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCc1cccc(-c2nn[nH]n2)c1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is HIXKZISOVYXRES-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(12-6-2-1-3-7-12)16-10-11-5-4-8-13(9-11)14-17-19-20-18-14/h1-2,4-5,8-9,12H,3,6-7,10H2,(H,16,21)(H,17,18,19,20)/t12-/m0/s1.
What are the key properties of (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 125447493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).