[1-(2-chloroprop-2-enylamino)cyclopentyl]methanol

C9H16ClNO — CID 62518827

IUPAC[1-(2-chloroprop-2-enylamino)cyclopentyl]methanol
SMILESC=C(Cl)CNC1(CO)CCCC1
InChIInChI=1S/C9H16ClNO/c1-8(10)6-11-9(7-12)4-2-3-5-9/h11-12H,1-7H2
InChIKeyHVQJEMQWTPCVIQ-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.63
Rot. Bonds4

About [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol

[1-(2-chloroprop-2-enylamino)cyclopentyl]methanol (PubChem CID 62518827) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(2-chloroprop-2-enylamino)cyclopentyl]methanol
PubChem CID62518827
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name[1-(2-chloroprop-2-enylamino)cyclopentyl]methanol
SMILESC=C(Cl)CNC1(CO)CCCC1
InChIInChI=1S/C9H16ClNO/c1-8(10)6-11-9(7-12)4-2-3-5-9/h11-12H,1-7H2
InChIKeyHVQJEMQWTPCVIQ-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol?
The IUPAC name of [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol (CID 62518827) is [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol.
What is the SMILES notation for [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol?
The canonical SMILES for [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol is C=C(Cl)CNC1(CO)CCCC1.
What is the InChIKey of [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol?
The InChIKey is HVQJEMQWTPCVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-8(10)6-11-9(7-12)4-2-3-5-9/h11-12H,1-7H2.
What are the key properties of [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol?
[1-(2-chloroprop-2-enylamino)cyclopentyl]methanol has a molecular weight of 189.69 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroprop-2-enylamino)cyclopentyl]methanol is sourced from PubChem (CID 62518827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).