N-(2-bromoprop-2-enyl)cyclopentanecarboxamide

C9H14BrNO — CID 115594613

IUPACN-(2-bromoprop-2-enyl)cyclopentanecarboxamide
SMILESC=C(Br)CNC(=O)C1CCCC1
InChIInChI=1S/C9H14BrNO/c1-7(10)6-11-9(12)8-4-2-3-5-8/h8H,1-6H2,(H,11,12)
InChIKeyBZSQEEDKYHAKPA-UHFFFAOYSA-N
MW232.12 g/mol
LogP2.20
Rot. Bonds3

About N-(2-bromoprop-2-enyl)cyclopentanecarboxamide

N-(2-bromoprop-2-enyl)cyclopentanecarboxamide (PubChem CID 115594613) has the molecular formula C9H14BrNO and a molecular weight of 232.12 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)cyclopentanecarboxamide
PubChem CID115594613
Molecular FormulaC9H14BrNO
Molecular Weight232.12 g/mol
Exact Mass231.03
IUPAC NameN-(2-bromoprop-2-enyl)cyclopentanecarboxamide
SMILESC=C(Br)CNC(=O)C1CCCC1
InChIInChI=1S/C9H14BrNO/c1-7(10)6-11-9(12)8-4-2-3-5-8/h8H,1-6H2,(H,11,12)
InChIKeyBZSQEEDKYHAKPA-UHFFFAOYSA-N
XLogP2.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)cyclopentanecarboxamide?
The IUPAC name of N-(2-bromoprop-2-enyl)cyclopentanecarboxamide (CID 115594613) is N-(2-bromoprop-2-enyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)cyclopentanecarboxamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)cyclopentanecarboxamide is C=C(Br)CNC(=O)C1CCCC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)cyclopentanecarboxamide?
The InChIKey is BZSQEEDKYHAKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO/c1-7(10)6-11-9(12)8-4-2-3-5-8/h8H,1-6H2,(H,11,12).
What are the key properties of N-(2-bromoprop-2-enyl)cyclopentanecarboxamide?
N-(2-bromoprop-2-enyl)cyclopentanecarboxamide has a molecular weight of 232.12 g/mol, XLogP of 2.20, 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)cyclopentanecarboxamide is sourced from PubChem (CID 115594613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).