(3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol

C10H15NO — CID 89339499

IUPAC(3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol
SMILESC=C(C)NC(=C)/C(O)=C\C=C/C
InChIInChI=1S/C10H15NO/c1-5-6-7-10(12)9(4)11-8(2)3/h5-7,11-12H,2,4H2,1,3H3/b6-5-,10-7+
InChIKeyWTLAKODPEQGSNW-ZZWPSLBBSA-N
MW165.24 g/mol
LogP2.64
Rot. Bonds4

About (3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol

(3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol (PubChem CID 89339499) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol
PubChem CID89339499
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol
SMILESC=C(C)NC(=C)/C(O)=C\C=C/C
InChIInChI=1S/C10H15NO/c1-5-6-7-10(12)9(4)11-8(2)3/h5-7,11-12H,2,4H2,1,3H3/b6-5-,10-7+
InChIKeyWTLAKODPEQGSNW-ZZWPSLBBSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.64
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,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol?
The IUPAC name of (3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol (CID 89339499) is (3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol.
What is the SMILES notation for (3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol?
The canonical SMILES for (3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol is C=C(C)NC(=C)/C(O)=C\C=C/C.
What is the InChIKey of (3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol?
The InChIKey is WTLAKODPEQGSNW-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-6-7-10(12)9(4)11-8(2)3/h5-7,11-12H,2,4H2,1,3H3/b6-5-,10-7+.
What are the key properties of (3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol?
(3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol has a molecular weight of 165.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-(prop-1-en-2-ylamino)hepta-1,3,5-trien-3-ol is sourced from PubChem (CID 89339499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).