1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid

C9H15NO3 — CID 89312299

IUPAC1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid
SMILESC=CCC(CO)N(CC=C)C(=O)O
InChIInChI=1S/C9H15NO3/c1-3-5-8(7-11)10(6-4-2)9(12)13/h3-4,8,11H,1-2,5-7H2,(H,12,13)
InChIKeyMPKFOFXZSQSTHM-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.09
Rot. Bonds6

About 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid

1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid (PubChem CID 89312299) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid.

Molecular Properties

Compound Name1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid
PubChem CID89312299
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid
SMILESC=CCC(CO)N(CC=C)C(=O)O
InChIInChI=1S/C9H15NO3/c1-3-5-8(7-11)10(6-4-2)9(12)13/h3-4,8,11H,1-2,5-7H2,(H,12,13)
InChIKeyMPKFOFXZSQSTHM-UHFFFAOYSA-N
XLogP1.09
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.09
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 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid?
The IUPAC name of 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid (CID 89312299) is 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid.
What is the SMILES notation for 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid?
The canonical SMILES for 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid is C=CCC(CO)N(CC=C)C(=O)O.
What is the InChIKey of 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid?
The InChIKey is MPKFOFXZSQSTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-5-8(7-11)10(6-4-2)9(12)13/h3-4,8,11H,1-2,5-7H2,(H,12,13).
What are the key properties of 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid?
1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid has a molecular weight of 185.22 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypent-4-en-2-yl(prop-2-enyl)carbamic acid is sourced from PubChem (CID 89312299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).