[(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid

C10H18N2O3 — CID 87240882

IUPAC[(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid
SMILESCC/C=C/CCN(CC(=O)NC)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-4-5-6-7-12(10(14)15)8-9(13)11-2/h4-5H,3,6-8H2,1-2H3,(H,11,13)(H,14,15)/b5-4+
InChIKeyGTIPKDWMLCWTMO-SNAWJCMRSA-N
MW214.26 g/mol
LogP1.07
Rot. Bonds6

About [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid

[(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid (PubChem CID 87240882) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid
PubChem CID87240882
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name[(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid
SMILESCC/C=C/CCN(CC(=O)NC)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-3-4-5-6-7-12(10(14)15)8-9(13)11-2/h4-5H,3,6-8H2,1-2H3,(H,11,13)(H,14,15)/b5-4+
InChIKeyGTIPKDWMLCWTMO-SNAWJCMRSA-N
XLogP1.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid?
The IUPAC name of [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid (CID 87240882) is [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid.
What is the SMILES notation for [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid?
The canonical SMILES for [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid is CC/C=C/CCN(CC(=O)NC)C(=O)O.
What is the InChIKey of [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid?
The InChIKey is GTIPKDWMLCWTMO-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-4-5-6-7-12(10(14)15)8-9(13)11-2/h4-5H,3,6-8H2,1-2H3,(H,11,13)(H,14,15)/b5-4+.
What are the key properties of [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid?
[(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid has a molecular weight of 214.26 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-3-enyl]-[2-(methylamino)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 87240882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).