prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate

C15H18N2O2 — CID 123763857

IUPACprop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate
SMILESC=CCOC(=O)NCc1ccc(CN=C=CC)cc1
InChIInChI=1S/C15H18N2O2/c1-3-9-16-11-13-5-7-14(8-6-13)12-17-15(18)19-10-4-2/h3-8H,2,10-12H2,1H3,(H,17,18)
InChIKeyOZJBFUCRDVLJFA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.84
Rot. Bonds6

About prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate

prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate (PubChem CID 123763857) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate
PubChem CID123763857
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameprop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate
SMILESC=CCOC(=O)NCc1ccc(CN=C=CC)cc1
InChIInChI=1S/C15H18N2O2/c1-3-9-16-11-13-5-7-14(8-6-13)12-17-15(18)19-10-4-2/h3-8H,2,10-12H2,1H3,(H,17,18)
InChIKeyOZJBFUCRDVLJFA-UHFFFAOYSA-N
XLogP2.84
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl N-[(3-bromo-4-methylphenyl)methyl]carbamate
CID 155887479
prop-2-enyl N-[[4-[(3-amino-3-oxopropoxy)methyl]phenyl]methyl]carbamate
CID 123602498
2-[4-[(prop-2-enoxycarbonylamino)methyl]phenyl]benzoic acid
CID 167742413
[4-[4-(prop-2-enoxycarbonylamino)phenyl]phenyl]methyl N-[[4-(hydroxymethyl)phenyl]methyl]carbamate
CID 11113084
prop-2-enyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 127503444
prop-2-enyl N-[[4-[[(3R)-4-(4-hydroxyphenyl)-3-methyl-2-oxobutoxy]methyl]phenyl]methyl]carbamate
CID 152950467
tert-butyl N-[[4-(isothiocyanatomethyl)phenyl]methyl]carbamate
CID 10850230
ethyl N-[(4-phenylphenyl)methyl]carbamate
CID 90935573
2-[3-bromo-5-[(prop-2-enoxycarbonylamino)methyl]phenoxy]acetic acid
CID 167732051
prop-2-enyl N-(2-aminopropyl)carbamate
CID 11321103
prop-2-enyl N-[4-[[4-(prop-2-enoxycarbonylamino)phenyl]methyl]phenyl]carbamate
CID 3455881
ethyl N-[(4-carbamothioylphenyl)methyl]carbamate
CID 62311623

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate?
The IUPAC name of prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate (CID 123763857) is prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate?
The canonical SMILES for prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate is C=CCOC(=O)NCc1ccc(CN=C=CC)cc1.
What is the InChIKey of prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate?
The InChIKey is OZJBFUCRDVLJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-9-16-11-13-5-7-14(8-6-13)12-17-15(18)19-10-4-2/h3-8H,2,10-12H2,1H3,(H,17,18).
What are the key properties of prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate?
prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[[4-[(prop-1-enylideneamino)methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 123763857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).