N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide

C10H16BrNO — CID 115612271

IUPACN-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(C)CCCC1
InChIInChI=1S/C10H16BrNO/c1-8(11)7-12-9(13)10(2)5-3-4-6-10/h1,3-7H2,2H3,(H,12,13)
InChIKeySYBWCCIQUYBYNT-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.59
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide

N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 115612271) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide
PubChem CID115612271
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(C)CCCC1
InChIInChI=1S/C10H16BrNO/c1-8(11)7-12-9(13)10(2)5-3-4-6-10/h1,3-7H2,2H3,(H,12,13)
InChIKeySYBWCCIQUYBYNT-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-bromoprop-2-enyl)-2-methylthiolane-2-carboxamide
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N-ethyl-1-methylcyclobutane-1-carboxamide
CID 131131875
N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide
CID 114309324
N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
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N-(2-hydroxy-2-methylpropyl)-1-methylcyclopentane-1-carboxamide
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1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide (CID 115612271) is N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide is C=C(Br)CNC(=O)C1(C)CCCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is SYBWCCIQUYBYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-8(11)7-12-9(13)10(2)5-3-4-6-10/h1,3-7H2,2H3,(H,12,13).
What are the key properties of N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide?
N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 246.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 115612271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).