methyl N-[(E)-pent-2-enoyl]carbamate

C7H11NO3 — CID 11615207

IUPACmethyl N-[(E)-pent-2-enoyl]carbamate
SMILESCC/C=C/C(=O)NC(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-4-5-6(9)8-7(10)11-2/h4-5H,3H2,1-2H3,(H,8,9,10)/b5-4+
InChIKeyCKDGGGAKWFCSJB-SNAWJCMRSA-N
MW157.17 g/mol
LogP0.84
Rot. Bonds2

About methyl N-[(E)-pent-2-enoyl]carbamate

methyl N-[(E)-pent-2-enoyl]carbamate (PubChem CID 11615207) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl N-[(E)-pent-2-enoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-pent-2-enoyl]carbamate
PubChem CID11615207
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl N-[(E)-pent-2-enoyl]carbamate
SMILESCC/C=C/C(=O)NC(=O)OC
InChIInChI=1S/C7H11NO3/c1-3-4-5-6(9)8-7(10)11-2/h4-5H,3H2,1-2H3,(H,8,9,10)/b5-4+
InChIKeyCKDGGGAKWFCSJB-SNAWJCMRSA-N
XLogP0.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-pent-2-enoyl]carbamate?
The IUPAC name of methyl N-[(E)-pent-2-enoyl]carbamate (CID 11615207) is methyl N-[(E)-pent-2-enoyl]carbamate.
What is the SMILES notation for methyl N-[(E)-pent-2-enoyl]carbamate?
The canonical SMILES for methyl N-[(E)-pent-2-enoyl]carbamate is CC/C=C/C(=O)NC(=O)OC.
What is the InChIKey of methyl N-[(E)-pent-2-enoyl]carbamate?
The InChIKey is CKDGGGAKWFCSJB-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-4-5-6(9)8-7(10)11-2/h4-5H,3H2,1-2H3,(H,8,9,10)/b5-4+.
What are the key properties of methyl N-[(E)-pent-2-enoyl]carbamate?
methyl N-[(E)-pent-2-enoyl]carbamate has a molecular weight of 157.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-pent-2-enoyl]carbamate is sourced from PubChem (CID 11615207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).