1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol

C7H14ClNO — CID 76940071

IUPAC1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)CC=CCl
InChIInChI=1S/C7H14ClNO/c1-7(10)6-9(2)5-3-4-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyXXUWTPGXKOOQCH-UHFFFAOYSA-N
MW163.65 g/mol
LogP1.05
Rot. Bonds4

About 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol

1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol (PubChem CID 76940071) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol
PubChem CID76940071
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol
SMILESCC(O)CN(C)CC=CCl
InChIInChI=1S/C7H14ClNO/c1-7(10)6-9(2)5-3-4-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyXXUWTPGXKOOQCH-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol?
The IUPAC name of 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol (CID 76940071) is 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol is CC(O)CN(C)CC=CCl.
What is the InChIKey of 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol?
The InChIKey is XXUWTPGXKOOQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO/c1-7(10)6-9(2)5-3-4-8/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol?
1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol has a molecular weight of 163.65 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloroprop-2-enyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 76940071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).