(4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol

C10H17NO — CID 146226418

IUPAC(4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol
SMILESC=C/C=C(\C=C/C)CC(N)CO
InChIInChI=1S/C10H17NO/c1-3-5-9(6-4-2)7-10(11)8-12/h3-6,10,12H,1,7-8,11H2,2H3/b6-4-,9-5+
InChIKeyDDMMWRJVXYUWEG-QUNSIMLLSA-N
MW167.25 g/mol
LogP1.38
Rot. Bonds5

About (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol

(4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol (PubChem CID 146226418) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol
PubChem CID146226418
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol
SMILESC=C/C=C(\C=C/C)CC(N)CO
InChIInChI=1S/C10H17NO/c1-3-5-9(6-4-2)7-10(11)8-12/h3-6,10,12H,1,7-8,11H2,2H3/b6-4-,9-5+
InChIKeyDDMMWRJVXYUWEG-QUNSIMLLSA-N
XLogP1.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol?
The IUPAC name of (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol (CID 146226418) is (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol.
What is the SMILES notation for (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol?
The canonical SMILES for (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol is C=C/C=C(\C=C/C)CC(N)CO.
What is the InChIKey of (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol?
The InChIKey is DDMMWRJVXYUWEG-QUNSIMLLSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-5-9(6-4-2)7-10(11)8-12/h3-6,10,12H,1,7-8,11H2,2H3/b6-4-,9-5+.
What are the key properties of (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol?
(4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-amino-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-ol is sourced from PubChem (CID 146226418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).