2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol

C10H18BrNO — CID 130618733

IUPAC2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol
SMILESC=C(Br)CNC1(C)CCCC1(C)O
InChIInChI=1S/C10H18BrNO/c1-8(11)7-12-9(2)5-4-6-10(9,3)13/h12-13H,1,4-7H2,2-3H3
InChIKeyXHWPIYVAGNXYEV-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.18
Rot. Bonds3

About 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol

2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol (PubChem CID 130618733) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol
PubChem CID130618733
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol
SMILESC=C(Br)CNC1(C)CCCC1(C)O
InChIInChI=1S/C10H18BrNO/c1-8(11)7-12-9(2)5-4-6-10(9,3)13/h12-13H,1,4-7H2,2-3H3
InChIKeyXHWPIYVAGNXYEV-UHFFFAOYSA-N
XLogP2.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol (CID 130618733) is 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol is C=C(Br)CNC1(C)CCCC1(C)O.
What is the InChIKey of 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol?
The InChIKey is XHWPIYVAGNXYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(11)7-12-9(2)5-4-6-10(9,3)13/h12-13H,1,4-7H2,2-3H3.
What are the key properties of 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol?
2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol has a molecular weight of 248.16 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enylamino)-1,2-dimethylcyclopentan-1-ol is sourced from PubChem (CID 130618733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).