(4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol

C14H23NO — CID 155088575

IUPAC(4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol
SMILESC=C/C=C\C(=C/C=C)[C@H](O)C(CC)NCC
InChIInChI=1S/C14H23NO/c1-5-9-11-12(10-6-2)14(16)13(7-3)15-8-4/h5-6,9-11,13-16H,1-2,7-8H2,3-4H3/b11-9-,12-10+/t13?,14-/m0/s1
InChIKeyJXKSMJJIZNTAGB-RHQDDJGPSA-N
MW221.34 g/mol
LogP2.59
Rot. Bonds8

About (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol

(4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol (PubChem CID 155088575) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol.

Molecular Properties

Compound Name(4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol
PubChem CID155088575
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol
SMILESC=C/C=C\C(=C/C=C)[C@H](O)C(CC)NCC
InChIInChI=1S/C14H23NO/c1-5-9-11-12(10-6-2)14(16)13(7-3)15-8-4/h5-6,9-11,13-16H,1-2,7-8H2,3-4H3/b11-9-,12-10+/t13?,14-/m0/s1
InChIKeyJXKSMJJIZNTAGB-RHQDDJGPSA-N
XLogP2.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.59
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 (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol?
The IUPAC name of (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol (CID 155088575) is (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol.
What is the SMILES notation for (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol?
The canonical SMILES for (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol is C=C/C=C\C(=C/C=C)[C@H](O)C(CC)NCC.
What is the InChIKey of (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol?
The InChIKey is JXKSMJJIZNTAGB-RHQDDJGPSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-9-11-12(10-6-2)14(16)13(7-3)15-8-4/h5-6,9-11,13-16H,1-2,7-8H2,3-4H3/b11-9-,12-10+/t13?,14-/m0/s1.
What are the key properties of (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol?
(4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol has a molecular weight of 221.34 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5E,6Z)-3-(ethylamino)-5-prop-2-enylidenenona-6,8-dien-4-ol is sourced from PubChem (CID 155088575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).