(E)-3-aminopent-2-en-2-ol

C5H11NO — CID 88857518

IUPAC(E)-3-aminopent-2-en-2-ol
SMILESCC/C(N)=C(/C)O
InChIInChI=1S/C5H11NO/c1-3-5(6)4(2)7/h7H,3,6H2,1-2H3/b5-4+
InChIKeyPNVNFCCKTSSHHH-SNAWJCMRSA-N
MW101.15 g/mol
LogP1.14
Rot. Bonds1

About (E)-3-aminopent-2-en-2-ol

(E)-3-aminopent-2-en-2-ol (PubChem CID 88857518) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-3-aminopent-2-en-2-ol.

Molecular Properties

Compound Name(E)-3-aminopent-2-en-2-ol
PubChem CID88857518
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(E)-3-aminopent-2-en-2-ol
SMILESCC/C(N)=C(/C)O
InChIInChI=1S/C5H11NO/c1-3-5(6)4(2)7/h7H,3,6H2,1-2H3/b5-4+
InChIKeyPNVNFCCKTSSHHH-SNAWJCMRSA-N
XLogP1.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-aminopent-2-en-2-ol?
The IUPAC name of (E)-3-aminopent-2-en-2-ol (CID 88857518) is (E)-3-aminopent-2-en-2-ol.
What is the SMILES notation for (E)-3-aminopent-2-en-2-ol?
The canonical SMILES for (E)-3-aminopent-2-en-2-ol is CC/C(N)=C(/C)O.
What is the InChIKey of (E)-3-aminopent-2-en-2-ol?
The InChIKey is PNVNFCCKTSSHHH-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5(6)4(2)7/h7H,3,6H2,1-2H3/b5-4+.
What are the key properties of (E)-3-aminopent-2-en-2-ol?
(E)-3-aminopent-2-en-2-ol has a molecular weight of 101.15 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-aminopent-2-en-2-ol is sourced from PubChem (CID 88857518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).