(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide

C12H21NO — CID 758027

IUPAC(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)(C)NC(=O)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C12H21NO/c1-12(2,3)13-11(14)10-8-6-4-5-7-9(8)10/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9+,10?
InChIKeyBGEOFAHNJMOPFL-ULKQDVFKSA-N
MW195.31 g/mol
LogP2.34
Rot. Bonds1

About (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide

(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 758027) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
PubChem CID758027
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(C)(C)NC(=O)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C12H21NO/c1-12(2,3)13-11(14)10-8-6-4-5-7-9(8)10/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9+,10?
InChIKeyBGEOFAHNJMOPFL-ULKQDVFKSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 134331533
N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79209192
N-tert-butylcyclooctanecarboxamide
CID 65022804
N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79795775
N-(1-hydroxy-3-methylpentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103945589
(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926722
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
2-N-tert-butylcyclohexane-1,2-dicarboxamide
CID 82041026
N-(1-amino-2,4-dimethylpentan-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81486220
(2S)-N-tert-butylpyrrolidin-1-ium-2-carboxamide
CID 42148489
tert-butyl (1S,6R)-bicyclo[4.1.0]heptane-7-carboxylate
CID 101004944
N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 115364638

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide (CID 758027) is (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide is CC(C)(C)NC(=O)C1[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is BGEOFAHNJMOPFL-ULKQDVFKSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2,3)13-11(14)10-8-6-4-5-7-9(8)10/h8-10H,4-7H2,1-3H3,(H,13,14)/t8-,9+,10?.
What are the key properties of (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide?
(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 758027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).