pent-4-en-2-ylcarbamic acid

C6H11NO2 — CID 146626901

IUPACpent-4-en-2-ylcarbamic acid
SMILESC=CCC(C)NC(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4-5(2)7-6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9)
InChIKeyHPYWKROSXGVPCL-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.22
Rot. Bonds3

About pent-4-en-2-ylcarbamic acid

pent-4-en-2-ylcarbamic acid (PubChem CID 146626901) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is pent-4-en-2-ylcarbamic acid.

Molecular Properties

Compound Namepent-4-en-2-ylcarbamic acid
PubChem CID146626901
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namepent-4-en-2-ylcarbamic acid
SMILESC=CCC(C)NC(=O)O
InChIInChI=1S/C6H11NO2/c1-3-4-5(2)7-6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9)
InChIKeyHPYWKROSXGVPCL-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.22
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)-4-oxobutan-2-yl]carbamic acid
CID 91297255
ethyl N-pent-4-en-2-ylcarbamate
CID 112691558
(2S,3R)-3-hydroxy-2-(pent-4-en-2-ylcarbamoylamino)butanoic acid
CID 104966582
N-pent-4-en-2-ylcyclopropanecarboxamide
CID 115631347
non-8-en-2-ylcarbamic acid
CID 175945835
2-bromo-2-methyl-N-pent-4-en-2-ylpropanamide
CID 114329139
N-pent-4-en-2-yl-2-propan-2-yloxyacetamide
CID 115631361
3-hydroxy-4-(pent-4-en-2-ylamino)butanoic acid
CID 103265692
(E)-3-(pent-4-en-2-ylamino)prop-2-enoic acid
CID 103265682
phenyl N-pent-4-en-2-ylcarbamate
CID 115631343
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
7-(carboxyamino)octan-2-ylcarbamic acid
CID 146545695

Frequently Asked Questions

What is the IUPAC name of pent-4-en-2-ylcarbamic acid?
The IUPAC name of pent-4-en-2-ylcarbamic acid (CID 146626901) is pent-4-en-2-ylcarbamic acid.
What is the SMILES notation for pent-4-en-2-ylcarbamic acid?
The canonical SMILES for pent-4-en-2-ylcarbamic acid is C=CCC(C)NC(=O)O.
What is the InChIKey of pent-4-en-2-ylcarbamic acid?
The InChIKey is HPYWKROSXGVPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-5(2)7-6(8)9/h3,5,7H,1,4H2,2H3,(H,8,9).
What are the key properties of pent-4-en-2-ylcarbamic acid?
pent-4-en-2-ylcarbamic acid has a molecular weight of 129.16 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-en-2-ylcarbamic acid is sourced from PubChem (CID 146626901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).