(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one

C12H19NO — CID 163240839

IUPAC(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
SMILESC=C/C=C(\C=C/C)CCC(=O)CCN
InChIInChI=1S/C12H19NO/c1-3-5-11(6-4-2)7-8-12(14)9-10-13/h3-6H,1,7-10,13H2,2H3/b6-4-,11-5+
InChIKeyFJKQDKIOZNHNDG-NQTKGXIKSA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds7

About (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one

(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one (PubChem CID 163240839) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one.

Molecular Properties

Compound Name(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
PubChem CID163240839
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
SMILESC=C/C=C(\C=C/C)CCC(=O)CCN
InChIInChI=1S/C12H19NO/c1-3-5-11(6-4-2)7-8-12(14)9-10-13/h3-6H,1,7-10,13H2,2H3/b6-4-,11-5+
InChIKeyFJKQDKIOZNHNDG-NQTKGXIKSA-N
XLogP2.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one?
The IUPAC name of (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one (CID 163240839) is (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one.
What is the SMILES notation for (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one?
The canonical SMILES for (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one is C=C/C=C(\C=C/C)CCC(=O)CCN.
What is the InChIKey of (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one?
The InChIKey is FJKQDKIOZNHNDG-NQTKGXIKSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-11(6-4-2)7-8-12(14)9-10-13/h3-6H,1,7-10,13H2,2H3/b6-4-,11-5+.
What are the key properties of (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one?
(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one has a molecular weight of 193.29 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one is sourced from PubChem (CID 163240839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).