(3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol

C8H13NO — CID 126584204

IUPAC(3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(\C)NC(=C)C
InChIInChI=1S/C8H13NO/c1-6(2)9-7(3)5-8(4)10/h5,9-10H,1,4H2,2-3H3/b7-5+
InChIKeyXVLMKFFPTHMPEG-FNORWQNLSA-N
MW139.20 g/mol
LogP2.09
Rot. Bonds3

About (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol

(3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol (PubChem CID 126584204) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol
PubChem CID126584204
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol
SMILESC=C(O)/C=C(\C)NC(=C)C
InChIInChI=1S/C8H13NO/c1-6(2)9-7(3)5-8(4)10/h5,9-10H,1,4H2,2-3H3/b7-5+
InChIKeyXVLMKFFPTHMPEG-FNORWQNLSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol?
The IUPAC name of (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol (CID 126584204) is (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol.
What is the SMILES notation for (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol?
The canonical SMILES for (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol is C=C(O)/C=C(\C)NC(=C)C.
What is the InChIKey of (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol?
The InChIKey is XVLMKFFPTHMPEG-FNORWQNLSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)9-7(3)5-8(4)10/h5,9-10H,1,4H2,2-3H3/b7-5+.
What are the key properties of (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol?
(3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol has a molecular weight of 139.20 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(prop-1-en-2-ylamino)penta-1,3-dien-2-ol is sourced from PubChem (CID 126584204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).