(2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal

C9H13NO — CID 145029008

IUPAC(2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal
SMILESC/C=C\C=C/C(C=O)=C(\C)N
InChIInChI=1S/C9H13NO/c1-3-4-5-6-9(7-11)8(2)10/h3-7H,10H2,1-2H3/b4-3-,6-5-,9-8-
InChIKeySRRSYBFJUCJQBH-AAKIXIBCSA-N
MW151.21 g/mol
LogP1.55
Rot. Bonds3

About (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal

(2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal (PubChem CID 145029008) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal.

Molecular Properties

Compound Name(2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal
PubChem CID145029008
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal
SMILESC/C=C\C=C/C(C=O)=C(\C)N
InChIInChI=1S/C9H13NO/c1-3-4-5-6-9(7-11)8(2)10/h3-7H,10H2,1-2H3/b4-3-,6-5-,9-8-
InChIKeySRRSYBFJUCJQBH-AAKIXIBCSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z,6Z)-3-methylocta-2,4,6-trien-2-amine
CID 146587341
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
(3E,5E)-2-oxohepta-3,5-dienal
CID 89374999
3-methylocta-2,4,6-trienamide
CID 141023741
(3Z)-hepta-3,5-dien-2-one
CID 123850748
(3Z,5E)-hepta-3,5-dien-2-one
CID 12524557
(2E,4E)-hexa-2,4-dienoic acid;urea
CID 175321331
(2Z,5Z,6Z,8Z)-5-butan-2-ylidene-2,3-bis(ethenyl)-4-oxodeca-2,6,8-trienal
CID 145266493
(2E,4E,6E)-3-methylocta-2,4,6-trienal
CID 24977703
(2Z,4Z)-3-[(Z)-prop-1-enyl]hepta-2,4-dien-2-amine
CID 166922206
2-methylhepta-1,3,5-triene
CID 54571604
(2E,4E)-hexa-2,4-dienoic acid;hydrogen peroxide
CID 22237716

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal?
The IUPAC name of (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal (CID 145029008) is (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal.
What is the SMILES notation for (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal?
The canonical SMILES for (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal is C/C=C\C=C/C(C=O)=C(\C)N.
What is the InChIKey of (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal?
The InChIKey is SRRSYBFJUCJQBH-AAKIXIBCSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-4-5-6-9(7-11)8(2)10/h3-7H,10H2,1-2H3/b4-3-,6-5-,9-8-.
What are the key properties of (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal?
(2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal has a molecular weight of 151.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z,5Z)-2-(1-aminoethylidene)hepta-3,5-dienal is sourced from PubChem (CID 145029008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).