3-(2-chloroprop-2-enylamino)butan-1-ol

C7H14ClNO — CID 83176226

IUPAC3-(2-chloroprop-2-enylamino)butan-1-ol
SMILESC=C(Cl)CNC(C)CCO
InChIInChI=1S/C7H14ClNO/c1-6(8)5-9-7(2)3-4-10/h7,9-10H,1,3-5H2,2H3
InChIKeyFIEMVWLRJFENSO-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.10
Rot. Bonds5

About 3-(2-chloroprop-2-enylamino)butan-1-ol

3-(2-chloroprop-2-enylamino)butan-1-ol (PubChem CID 83176226) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 3-(2-chloroprop-2-enylamino)butan-1-ol.

Molecular Properties

Compound Name3-(2-chloroprop-2-enylamino)butan-1-ol
PubChem CID83176226
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name3-(2-chloroprop-2-enylamino)butan-1-ol
SMILESC=C(Cl)CNC(C)CCO
InChIInChI=1S/C7H14ClNO/c1-6(8)5-9-7(2)3-4-10/h7,9-10H,1,3-5H2,2H3
InChIKeyFIEMVWLRJFENSO-UHFFFAOYSA-N
XLogP1.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroprop-2-enylamino)butan-1-ol?
The IUPAC name of 3-(2-chloroprop-2-enylamino)butan-1-ol (CID 83176226) is 3-(2-chloroprop-2-enylamino)butan-1-ol.
What is the SMILES notation for 3-(2-chloroprop-2-enylamino)butan-1-ol?
The canonical SMILES for 3-(2-chloroprop-2-enylamino)butan-1-ol is C=C(Cl)CNC(C)CCO.
What is the InChIKey of 3-(2-chloroprop-2-enylamino)butan-1-ol?
The InChIKey is FIEMVWLRJFENSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-6(8)5-9-7(2)3-4-10/h7,9-10H,1,3-5H2,2H3.
What are the key properties of 3-(2-chloroprop-2-enylamino)butan-1-ol?
3-(2-chloroprop-2-enylamino)butan-1-ol has a molecular weight of 163.65 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroprop-2-enylamino)butan-1-ol is sourced from PubChem (CID 83176226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).