trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide

C17H22N2O2 — CID 97228729

IUPACtrans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESN#CCN(C(=O)[C@H]1C[C@@H]1c1ccco1)C1CCCCCC1
InChIInChI=1S/C17H22N2O2/c18-9-10-19(13-6-3-1-2-4-7-13)17(20)15-12-14(15)16-8-5-11-21-16/h5,8,11,13-15H,1-4,6-7,10,12H2/t14-,15-/m0/s1
InChIKeyUJMJCWLGBDJNJL-GJZGRUSLSA-N
MW286.37 g/mol
LogP3.46
Rot. Bonds4

About trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 97228729) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID97228729
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Nametrans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESN#CCN(C(=O)[C@H]1C[C@@H]1c1ccco1)C1CCCCCC1
InChIInChI=1S/C17H22N2O2/c18-9-10-19(13-6-3-1-2-4-7-13)17(20)15-12-14(15)16-8-5-11-21-16/h5,8,11,13-15H,1-4,6-7,10,12H2/t14-,15-/m0/s1
InChIKeyUJMJCWLGBDJNJL-GJZGRUSLSA-N
XLogP3.46
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97011420
N-cyclopropyl-2-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 86851913
cyclopropyl-[2-(furan-2-yl)cyclopropyl]methanone
CID 549488
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
cis-(1R,2S)-2-(furan-2-yl)cyclohexan-1-ol
CID 95256771
4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
CID 94699877
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680
[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 95179871
2-(furan-2-yl)cyclobutane-1-carboxylic acid
CID 81009452
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
trans-(1R,2R)-N-butylsulfonyl-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide
CID 97027651
N-butan-2-yl-N-butyl-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851729

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 97228729) is trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide is N#CCN(C(=O)[C@H]1C[C@@H]1c1ccco1)C1CCCCCC1.
What is the InChIKey of trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is UJMJCWLGBDJNJL-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-9-10-19(13-6-3-1-2-4-7-13)17(20)15-12-14(15)16-8-5-11-21-16/h5,8,11,13-15H,1-4,6-7,10,12H2/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(cyanomethyl)-N-cycloheptyl-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97228729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).