2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol

C7H14ClNO2 — CID 106190608

IUPAC2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC/C=C/Cl
InChIInChI=1S/C7H14ClNO2/c1-11-6-7(5-10)9-4-2-3-8/h2-3,7,9-10H,4-6H2,1H3/b3-2+
InChIKeyBPCVWBQAAYMHIE-NSCUHMNNSA-N
MW179.65 g/mol
LogP0.34
Rot. Bonds6

About 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol

2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol (PubChem CID 106190608) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol
PubChem CID106190608
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol
SMILESCOCC(CO)NC/C=C/Cl
InChIInChI=1S/C7H14ClNO2/c1-11-6-7(5-10)9-4-2-3-8/h2-3,7,9-10H,4-6H2,1H3/b3-2+
InChIKeyBPCVWBQAAYMHIE-NSCUHMNNSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol with MolForge

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Related Compounds

2-[[(E)-3-chloroprop-2-enyl]amino]propane-1,3-diol
CID 107900017
N-[(E)-3-chloroprop-2-enyl]-1-methoxypropan-2-amine
CID 107899576
methyl (Z)-4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-2-methylbut-2-enoate
CID 106190984
2-(2-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190268
2-(3-hydroxypropylamino)-3-methoxypropan-1-ol
CID 106190319
(2S)-3-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 130685651
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
2-[2-(tert-butylamino)ethylamino]-3-methoxypropan-1-ol
CID 106187247
2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid
CID 106190983
3-methoxy-2-(pyrimidin-2-ylmethylamino)propan-1-ol
CID 106190329
3-methoxy-2-(2-pyrrolidin-1-ylethylamino)propan-1-ol
CID 106190805

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol?
The IUPAC name of 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol (CID 106190608) is 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol.
What is the SMILES notation for 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol?
The canonical SMILES for 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol is COCC(CO)NC/C=C/Cl.
What is the InChIKey of 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol?
The InChIKey is BPCVWBQAAYMHIE-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-11-6-7(5-10)9-4-2-3-8/h2-3,7,9-10H,4-6H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol?
2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol has a molecular weight of 179.65 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-chloroprop-2-enyl]amino]-3-methoxypropan-1-ol is sourced from PubChem (CID 106190608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).