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

C10H13BrN2O — CID 47438973

IUPACN-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C10H13BrN2O/c1-8(11)6-13-9(14)10(7-12)4-2-3-5-10/h1-6H2,(H,13,14)
InChIKeyWJEYHRZXEUEDMT-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.10
Rot. Bonds3

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

N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide (PubChem CID 47438973) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide
PubChem CID47438973
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide
SMILESC=C(Br)CNC(=O)C1(C#N)CCCC1
InChIInChI=1S/C10H13BrN2O/c1-8(11)6-13-9(14)10(7-12)4-2-3-5-10/h1-6H2,(H,13,14)
InChIKeyWJEYHRZXEUEDMT-UHFFFAOYSA-N
XLogP2.10
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-1-methylcyclopentane-1-carboxamide
CID 115612271
1-cyano-N-[(1-hydroxycycloheptyl)methyl]cyclopentane-1-carboxamide
CID 111428584
1-cyano-N-[2-(ethylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 61461650
1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 112686446
N-(2-bromoprop-2-enyl)-1-methylcyclobutane-1-carboxamide
CID 130634322
1-cyano-N-(2-prop-2-enoxyethyl)cyclohexane-1-carboxamide
CID 113362898
1-cyano-N-[2-[ethyl(methyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 104920281
1-cyano-N-prop-2-ynylcyclobutane-1-carboxamide
CID 78994562
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
2-[(1-cyanocyclopentanecarbonyl)amino]ethyl carbamate
CID 83211898
1-cyano-N-(2-methylsulfanylethyl)cyclohexane-1-carboxamide
CID 61461120
1-cyano-N-(2-methylsulfinylethyl)cyclopentane-1-carboxamide
CID 115631260

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide (CID 47438973) is N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide is C=C(Br)CNC(=O)C1(C#N)CCCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide?
The InChIKey is WJEYHRZXEUEDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-8(11)6-13-9(14)10(7-12)4-2-3-5-10/h1-6H2,(H,13,14).
What are the key properties of N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide?
N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide has a molecular weight of 257.13 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-1-cyanocyclopentane-1-carboxamide is sourced from PubChem (CID 47438973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).