hex-3-enyl(methyl)carbamic acid

C8H15NO2 — CID 174744143

IUPAChex-3-enyl(methyl)carbamic acid
SMILESCCC=CCCN(C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-4-5-6-7-9(2)8(10)11/h4-5H,3,6-7H2,1-2H3,(H,10,11)
InChIKeyPOOVVVJKORKUGU-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.95
Rot. Bonds4

About hex-3-enyl(methyl)carbamic acid

hex-3-enyl(methyl)carbamic acid (PubChem CID 174744143) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is hex-3-enyl(methyl)carbamic acid.

Molecular Properties

Compound Namehex-3-enyl(methyl)carbamic acid
PubChem CID174744143
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namehex-3-enyl(methyl)carbamic acid
SMILESCCC=CCCN(C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-4-5-6-7-9(2)8(10)11/h4-5H,3,6-7H2,1-2H3,(H,10,11)
InChIKeyPOOVVVJKORKUGU-UHFFFAOYSA-N
XLogP1.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 hex-3-enyl(methyl)carbamic acid?
The IUPAC name of hex-3-enyl(methyl)carbamic acid (CID 174744143) is hex-3-enyl(methyl)carbamic acid.
What is the SMILES notation for hex-3-enyl(methyl)carbamic acid?
The canonical SMILES for hex-3-enyl(methyl)carbamic acid is CCC=CCCN(C)C(=O)O.
What is the InChIKey of hex-3-enyl(methyl)carbamic acid?
The InChIKey is POOVVVJKORKUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-4-5-6-7-9(2)8(10)11/h4-5H,3,6-7H2,1-2H3,(H,10,11).
What are the key properties of hex-3-enyl(methyl)carbamic acid?
hex-3-enyl(methyl)carbamic acid has a molecular weight of 157.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-enyl(methyl)carbamic acid is sourced from PubChem (CID 174744143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).