2-chloro-N-(2-methylcycloheptyl)prop-2-enamide

C11H18ClNO — CID 131015397

IUPAC2-chloro-N-(2-methylcycloheptyl)prop-2-enamide
SMILESC=C(Cl)C(=O)NC1CCCCCC1C
InChIInChI=1S/C11H18ClNO/c1-8-6-4-3-5-7-10(8)13-11(14)9(2)12/h8,10H,2-7H2,1H3,(H,13,14)
InChIKeyHANUCOVBRONFLZ-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.82
Rot. Bonds2

About 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide

2-chloro-N-(2-methylcycloheptyl)prop-2-enamide (PubChem CID 131015397) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylcycloheptyl)prop-2-enamide
PubChem CID131015397
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-chloro-N-(2-methylcycloheptyl)prop-2-enamide
SMILESC=C(Cl)C(=O)NC1CCCCCC1C
InChIInChI=1S/C11H18ClNO/c1-8-6-4-3-5-7-10(8)13-11(14)9(2)12/h8,10H,2-7H2,1H3,(H,13,14)
InChIKeyHANUCOVBRONFLZ-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
(2-methylcyclohexyl)urea
CID 3345444
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
1-(2-methylcycloheptyl)-3-propan-2-ylurea
CID 115660988
N-(2-methylcyclohexyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121272
3-methyl-N-(2-methylcycloheptyl)-2-sulfanylbutanamide
CID 107031478
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine
CID 60688914
N'-(2-methylcyclohexyl)-N-(2-methylpropyl)oxamide
CID 108504857
N-(2-methylcycloheptyl)piperidine-1-carboxamide
CID 115665269
N',N'-bis(2-methoxyethyl)-N-(2-methylcyclohexyl)oxamide
CID 108525018

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide?
The IUPAC name of 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide (CID 131015397) is 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide.
What is the SMILES notation for 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide?
The canonical SMILES for 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide is C=C(Cl)C(=O)NC1CCCCCC1C.
What is the InChIKey of 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide?
The InChIKey is HANUCOVBRONFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-8-6-4-3-5-7-10(8)13-11(14)9(2)12/h8,10H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide?
2-chloro-N-(2-methylcycloheptyl)prop-2-enamide has a molecular weight of 215.72 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylcycloheptyl)prop-2-enamide is sourced from PubChem (CID 131015397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).