prop-2-enyl N-[(E)-prop-1-enyl]carbamate

C7H11NO2 — CID 130006690

IUPACprop-2-enyl N-[(E)-prop-1-enyl]carbamate
SMILESC=CCOC(=O)N/C=C/C
InChIInChI=1S/C7H11NO2/c1-3-5-8-7(9)10-6-4-2/h3-5H,2,6H2,1H3,(H,8,9)/b5-3+
InChIKeyXAKNAJBBQRHDRS-HWKANZROSA-N
MW141.17 g/mol
LogP1.43
Rot. Bonds3

About prop-2-enyl N-[(E)-prop-1-enyl]carbamate

prop-2-enyl N-[(E)-prop-1-enyl]carbamate (PubChem CID 130006690) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is prop-2-enyl N-[(E)-prop-1-enyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(E)-prop-1-enyl]carbamate
PubChem CID130006690
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Nameprop-2-enyl N-[(E)-prop-1-enyl]carbamate
SMILESC=CCOC(=O)N/C=C/C
InChIInChI=1S/C7H11NO2/c1-3-5-8-7(9)10-6-4-2/h3-5H,2,6H2,1H3,(H,8,9)/b5-3+
InChIKeyXAKNAJBBQRHDRS-HWKANZROSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Carbamic acid, 1,3-butadienyl-, ethyl ester, (E)-
CID 5463367
Prop-2-en-1-yl methylcarbamate
CID 12685968
ethyl N-[(E)-prop-1-enyl]carbamate
CID 13742100
methyl N-[(E)-prop-1-enyl]carbamate
CID 18533378
methyl N-prop-1-enylcarbamate
CID 53934691
methyl N-[(Z)-prop-1-enyl]carbamate
CID 55298514
prop-2-enyl N-(2-fluoro-1-methoxyethyl)carbamate
CID 88603887
[(Z)-3-fluoroprop-2-enyl] N-ethylcarbamate
CID 118982949
Prop-2-en-1-yl propylcarbamate
CID 19434675
Crotyl-N-vinylcarbamat
CID 129647206
prop-2-enyl N-[(1E,3E)-hexa-1,3-dienyl]carbamate
CID 10976109
ethyl N-[(1E,3E)-penta-1,3-dienyl]carbamate
CID 12298475

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(E)-prop-1-enyl]carbamate?
The IUPAC name of prop-2-enyl N-[(E)-prop-1-enyl]carbamate (CID 130006690) is prop-2-enyl N-[(E)-prop-1-enyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(E)-prop-1-enyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(E)-prop-1-enyl]carbamate is C=CCOC(=O)N/C=C/C.
What is the InChIKey of prop-2-enyl N-[(E)-prop-1-enyl]carbamate?
The InChIKey is XAKNAJBBQRHDRS-HWKANZROSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-5-8-7(9)10-6-4-2/h3-5H,2,6H2,1H3,(H,8,9)/b5-3+.
What are the key properties of prop-2-enyl N-[(E)-prop-1-enyl]carbamate?
prop-2-enyl N-[(E)-prop-1-enyl]carbamate has a molecular weight of 141.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(E)-prop-1-enyl]carbamate is sourced from PubChem (CID 130006690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).