methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate

C8H15NO2 — CID 20614529

IUPACmethyl N-[(E)-3-methylpent-3-en-2-yl]carbamate
SMILESC/C=C(\C)C(C)NC(=O)OC
InChIInChI=1S/C8H15NO2/c1-5-6(2)7(3)9-8(10)11-4/h5,7H,1-4H3,(H,9,10)/b6-5+
InChIKeyVUHUPQUCKXQZJA-AATRIKPKSA-N
MW157.21 g/mol
LogP1.70
Rot. Bonds2

About methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate

methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate (PubChem CID 20614529) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-3-methylpent-3-en-2-yl]carbamate
PubChem CID20614529
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl N-[(E)-3-methylpent-3-en-2-yl]carbamate
SMILESC/C=C(\C)C(C)NC(=O)OC
InChIInChI=1S/C8H15NO2/c1-5-6(2)7(3)9-8(10)11-4/h5,7H,1-4H3,(H,9,10)/b6-5+
InChIKeyVUHUPQUCKXQZJA-AATRIKPKSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
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 methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate?
The IUPAC name of methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate (CID 20614529) is methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate.
What is the SMILES notation for methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate?
The canonical SMILES for methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate is C/C=C(\C)C(C)NC(=O)OC.
What is the InChIKey of methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate?
The InChIKey is VUHUPQUCKXQZJA-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6(2)7(3)9-8(10)11-4/h5,7H,1-4H3,(H,9,10)/b6-5+.
What are the key properties of methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate?
methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate has a molecular weight of 157.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-3-methylpent-3-en-2-yl]carbamate is sourced from PubChem (CID 20614529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).