N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide

C12H21NO2 — CID 103920219

IUPACN-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC[C@H](CO)NC(=O)C1C2CCCCC21
InChIInChI=1S/C12H21NO2/c1-2-8(7-14)13-12(15)11-9-5-3-4-6-10(9)11/h8-11,14H,2-7H2,1H3,(H,13,15)/t8-,9?,10?,11?/m1/s1
InChIKeyYBDZKHFZLQBRPU-XUHYKBHQSA-N
MW211.30 g/mol
LogP1.31
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 103920219) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID103920219
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC[C@H](CO)NC(=O)C1C2CCCCC21
InChIInChI=1S/C12H21NO2/c1-2-8(7-14)13-12(15)11-9-5-3-4-6-10(9)11/h8-11,14H,2-7H2,1H3,(H,13,15)/t8-,9?,10?,11?/m1/s1
InChIKeyYBDZKHFZLQBRPU-XUHYKBHQSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2S)-1-hydroxypropan-2-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81645904
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CID 81908383
N-(1-hydroxybutan-2-yl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
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CID 81932611

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide (CID 103920219) is N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide is CC[C@H](CO)NC(=O)C1C2CCCCC21.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is YBDZKHFZLQBRPU-XUHYKBHQSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-8(7-14)13-12(15)11-9-5-3-4-6-10(9)11/h8-11,14H,2-7H2,1H3,(H,13,15)/t8-,9?,10?,11?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 103920219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).