4-methylpent-1-en-3-ylcarbamic acid

C7H13NO2 — CID 87278563

IUPAC4-methylpent-1-en-3-ylcarbamic acid
SMILESC=CC(NC(=O)O)C(C)C
InChIInChI=1S/C7H13NO2/c1-4-6(5(2)3)8-7(9)10/h4-6,8H,1H2,2-3H3,(H,9,10)
InChIKeyOFXOGGPPDOIZNX-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.46
Rot. Bonds3

About 4-methylpent-1-en-3-ylcarbamic acid

4-methylpent-1-en-3-ylcarbamic acid (PubChem CID 87278563) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-methylpent-1-en-3-ylcarbamic acid.

Molecular Properties

Compound Name4-methylpent-1-en-3-ylcarbamic acid
PubChem CID87278563
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-methylpent-1-en-3-ylcarbamic acid
SMILESC=CC(NC(=O)O)C(C)C
InChIInChI=1S/C7H13NO2/c1-4-6(5(2)3)8-7(9)10/h4-6,8H,1H2,2-3H3,(H,9,10)
InChIKeyOFXOGGPPDOIZNX-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-3-methyl-1-oxobutan-2-yl]carbamic acid
CID 87504341
2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide
CID 177367751
pent-4-en-2-ylcarbamic acid
CID 146626901
1-iodoprop-2-enylcarbamic acid
CID 87639601
(3-methyl-1-oxopentan-2-yl)carbamic acid
CID 22368838
[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid
CID 87421525
cyclopentane;propan-2-ylcarbamic acid
CID 169143516
3-methyl-2-(prop-2-enoylamino)butanoic acid
CID 3320462
non-8-en-2-ylcarbamic acid
CID 175945835
2,2-dimethylhept-6-en-3-ylcarbamic acid
CID 175244688
(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide
CID 170341446
[(2S)-4-oxobutan-2-yl]carbamic acid
CID 91297255

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-en-3-ylcarbamic acid?
The IUPAC name of 4-methylpent-1-en-3-ylcarbamic acid (CID 87278563) is 4-methylpent-1-en-3-ylcarbamic acid.
What is the SMILES notation for 4-methylpent-1-en-3-ylcarbamic acid?
The canonical SMILES for 4-methylpent-1-en-3-ylcarbamic acid is C=CC(NC(=O)O)C(C)C.
What is the InChIKey of 4-methylpent-1-en-3-ylcarbamic acid?
The InChIKey is OFXOGGPPDOIZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(5(2)3)8-7(9)10/h4-6,8H,1H2,2-3H3,(H,9,10).
What are the key properties of 4-methylpent-1-en-3-ylcarbamic acid?
4-methylpent-1-en-3-ylcarbamic acid has a molecular weight of 143.19 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-en-3-ylcarbamic acid is sourced from PubChem (CID 87278563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).