(3S)-5-aminopent-1-en-3-ol

C5H11NO — CID 11499227

IUPAC(3S)-5-aminopent-1-en-3-ol
SMILESC=C[C@@H](O)CCN
InChIInChI=1S/C5H11NO/c1-2-5(7)3-4-6/h2,5,7H,1,3-4,6H2/t5-/m1/s1
InChIKeyGTYDVILRLCJUHL-RXMQYKEDSA-N
MW101.15 g/mol
LogP-0.12
Rot. Bonds3

About (3S)-5-aminopent-1-en-3-ol

(3S)-5-aminopent-1-en-3-ol (PubChem CID 11499227) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (3S)-5-aminopent-1-en-3-ol.

Molecular Properties

Compound Name(3S)-5-aminopent-1-en-3-ol
PubChem CID11499227
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(3S)-5-aminopent-1-en-3-ol
SMILESC=C[C@@H](O)CCN
InChIInChI=1S/C5H11NO/c1-2-5(7)3-4-6/h2,5,7H,1,3-4,6H2/t5-/m1/s1
InChIKeyGTYDVILRLCJUHL-RXMQYKEDSA-N
XLogP-0.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.12
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 (3S)-5-aminopent-1-en-3-ol?
The IUPAC name of (3S)-5-aminopent-1-en-3-ol (CID 11499227) is (3S)-5-aminopent-1-en-3-ol.
What is the SMILES notation for (3S)-5-aminopent-1-en-3-ol?
The canonical SMILES for (3S)-5-aminopent-1-en-3-ol is C=C[C@@H](O)CCN.
What is the InChIKey of (3S)-5-aminopent-1-en-3-ol?
The InChIKey is GTYDVILRLCJUHL-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-5(7)3-4-6/h2,5,7H,1,3-4,6H2/t5-/m1/s1.
What are the key properties of (3S)-5-aminopent-1-en-3-ol?
(3S)-5-aminopent-1-en-3-ol has a molecular weight of 101.15 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-aminopent-1-en-3-ol is sourced from PubChem (CID 11499227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).