prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate

C15H25NO3 — CID 131748625

IUPACprop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate
SMILESC=CCOC(=O)N/C(=C\C)C(=O)CCCCCCC
InChIInChI=1S/C15H25NO3/c1-4-7-8-9-10-11-14(17)13(6-3)16-15(18)19-12-5-2/h5-6H,2,4,7-12H2,1,3H3,(H,16,18)/b13-6-
InChIKeyYOEXUCCTOAZYDS-MLPAPPSSSA-N
MW267.37 g/mol
LogP3.73
Rot. Bonds10

About prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate

prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate (PubChem CID 131748625) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate
PubChem CID131748625
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameprop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate
SMILESC=CCOC(=O)N/C(=C\C)C(=O)CCCCCCC
InChIInChI=1S/C15H25NO3/c1-4-7-8-9-10-11-14(17)13(6-3)16-15(18)19-12-5-2/h5-6H,2,4,7-12H2,1,3H3,(H,16,18)/b13-6-
InChIKeyYOEXUCCTOAZYDS-MLPAPPSSSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2-oxooctadecanoate
CID 140945960
2-trimethylsilylethyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate
CID 140870286
benzyl N-[(Z)-4-oxotridec-2-en-3-yl]carbamate
CID 140853677
prop-2-enyl tridecanoate
CID 91752122
prop-2-enyl pentadecanoate
CID 87531612
nonyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91739004
hexadecyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91743644
hexadecyl 3-methyl-2-(prop-2-enoxycarbonylamino)butanoate
CID 91722408
hexyl 2-(prop-2-enoxycarbonylamino)pent-4-enoate
CID 91721396
2-(heptanoylamino)but-2-enoic acid
CID 54363986
bis(dodecanamide);hex-1-ene
CID 159337008
decyl 3-methyl-2-(prop-2-enoxycarbonylamino)pentanoate
CID 6424613

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate?
The IUPAC name of prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate (CID 131748625) is prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate is C=CCOC(=O)N/C(=C\C)C(=O)CCCCCCC.
What is the InChIKey of prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate?
The InChIKey is YOEXUCCTOAZYDS-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-7-8-9-10-11-14(17)13(6-3)16-15(18)19-12-5-2/h5-6H,2,4,7-12H2,1,3H3,(H,16,18)/b13-6-.
What are the key properties of prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate?
prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate has a molecular weight of 267.37 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(Z)-4-oxoundec-2-en-3-yl]carbamate is sourced from PubChem (CID 131748625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).