[5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate

C15H18ClNO3 — CID 156804245

IUPAC[5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
SMILESC/C=C\NC1CCC(COC(=O)c2cccc(Cl)c2)O1
InChIInChI=1S/C15H18ClNO3/c1-2-8-17-14-7-6-13(20-14)10-19-15(18)11-4-3-5-12(16)9-11/h2-5,8-9,13-14,17H,6-7,10H2,1H3/b8-2-
InChIKeyCPFGKNAWNAXHBV-WAPJZHGLSA-N
MW295.77 g/mol
LogP3.13
Rot. Bonds5

About [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate

[5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate (PubChem CID 156804245) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate.

Molecular Properties

Compound Name[5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
PubChem CID156804245
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name[5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
SMILESC/C=C\NC1CCC(COC(=O)c2cccc(Cl)c2)O1
InChIInChI=1S/C15H18ClNO3/c1-2-8-17-14-7-6-13(20-14)10-19-15(18)11-4-3-5-12(16)9-11/h2-5,8-9,13-14,17H,6-7,10H2,1H3/b8-2-
InChIKeyCPFGKNAWNAXHBV-WAPJZHGLSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R)-5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
CID 171528670
carbonothioic O,S-acid;[5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
CID 172580898
[5-[formyl-[(Z)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
CID 171528800
(2-methylcyclopropyl)methyl 3-chlorobenzoate
CID 86890031
[(2S)-5-(acetyloxyamino)oxolan-2-yl]methyl benzoate
CID 137453027
oxolan-2-ylmethyl 3-(3-chlorophenyl)but-2-enoate
CID 71861239
1-O-(cyclopropylmethyl) 3-O-(oxiran-2-ylmethyl) benzene-1,3-dicarboxylate
CID 165037318
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-chlorobenzoate
CID 2503845
[(2R)-5-hydroxyoxolan-2-yl]methyl benzoate;propane-2,2-diol
CID 145051457
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-chlorobenzoate
CID 7838563

Frequently Asked Questions

What is the IUPAC name of [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate?
The IUPAC name of [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate (CID 156804245) is [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate.
What is the SMILES notation for [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate?
The canonical SMILES for [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate is C/C=C\NC1CCC(COC(=O)c2cccc(Cl)c2)O1.
What is the InChIKey of [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate?
The InChIKey is CPFGKNAWNAXHBV-WAPJZHGLSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-2-8-17-14-7-6-13(20-14)10-19-15(18)11-4-3-5-12(16)9-11/h2-5,8-9,13-14,17H,6-7,10H2,1H3/b8-2-.
What are the key properties of [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate?
[5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate has a molecular weight of 295.77 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(Z)-prop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate is sourced from PubChem (CID 156804245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).