[[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol

C13H21NO — CID 143594991

IUPAC[[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol
SMILESC=C/C=C(CCCC)\C(=C/C=C)NCO
InChIInChI=1S/C13H21NO/c1-4-7-10-12(8-5-2)13(9-6-3)14-11-15/h5-6,8-9,14-15H,2-4,7,10-11H2,1H3/b12-8-,13-9+
InChIKeyMIIPBXVEZQBBHI-QRBCZBMESA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds8

About [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol

[[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol (PubChem CID 143594991) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol.

Molecular Properties

Compound Name[[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol
PubChem CID143594991
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name[[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol
SMILESC=C/C=C(CCCC)\C(=C/C=C)NCO
InChIInChI=1S/C13H21NO/c1-4-7-10-12(8-5-2)13(9-6-3)14-11-15/h5-6,8-9,14-15H,2-4,7,10-11H2,1H3/b12-8-,13-9+
InChIKeyMIIPBXVEZQBBHI-QRBCZBMESA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol with MolForge

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Related Compounds

N-[(2Z)-penta-2,4-dien-2-yl]pentanamide
CID 134525821
2-prop-2-enylidenehexanenitrile
CID 88965787
4-methylnona-1,3-diene
CID 71327710
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
N-(hydroxymethyl)henicosanamide
CID 102116485
4-methyldeca-1,3-diene-5,6-dione
CID 91542412
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
ethane;(E,7Z)-8-N-hexan-3-yl-7-prop-2-enylidenedec-8-ene-1,8-diamine
CID 169246496
N-[(1E,3Z)-2-butyl-3-methylhexa-1,3,5-trienyl]aniline
CID 134257112
N-(3-hydroxy-2-oxopropyl)pentanamide
CID 57150285
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
(3Z)-3-[(sulfanylamino)methyl]hexa-1,3,5-triene-2-thiol
CID 143785892

Frequently Asked Questions

What is the IUPAC name of [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol?
The IUPAC name of [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol (CID 143594991) is [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol.
What is the SMILES notation for [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol?
The canonical SMILES for [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol is C=C/C=C(CCCC)\C(=C/C=C)NCO.
What is the InChIKey of [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol?
The InChIKey is MIIPBXVEZQBBHI-QRBCZBMESA-N. The full InChI is InChI=1S/C13H21NO/c1-4-7-10-12(8-5-2)13(9-6-3)14-11-15/h5-6,8-9,14-15H,2-4,7,10-11H2,1H3/b12-8-,13-9+.
What are the key properties of [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol?
[[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol has a molecular weight of 207.32 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(3E,5Z)-5-prop-2-enylidenenona-1,3-dien-4-yl]amino]methanol is sourced from PubChem (CID 143594991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).