N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide

C12H20ClNO — CID 115364638

IUPACN-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CCl)CNC(=O)C1C2CCCC21
InChIInChI=1S/C12H20ClNO/c1-12(2,6-13)7-14-11(15)10-8-4-3-5-9(8)10/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyVMRPDQCKGSMVHA-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.41
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 115364638) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID115364638
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CCl)CNC(=O)C1C2CCCC21
InChIInChI=1S/C12H20ClNO/c1-12(2,6-13)7-14-11(15)10-8-4-3-5-9(8)10/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyVMRPDQCKGSMVHA-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 98231110
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 111750779
N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119640656
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
N-(1-chloro-4,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106355594
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 104857980
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
CID 81454952
N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 114306831
3-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methyl-2-phenylpropanoic acid
CID 120701285
(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
CID 758027

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 115364638) is N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide is CC(C)(CCl)CNC(=O)C1C2CCCC21.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is VMRPDQCKGSMVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-12(2,6-13)7-14-11(15)10-8-4-3-5-9(8)10/h8-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 229.75 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 115364638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).