2-[[(Z)-pent-3-en-2-ylidene]amino]propanal

C8H13NO — CID 123822724

IUPAC2-[[(Z)-pent-3-en-2-ylidene]amino]propanal
SMILESC/C=C\C(C)=N\C(C)C=O
InChIInChI=1S/C8H13NO/c1-4-5-7(2)9-8(3)6-10/h4-6,8H,1-3H3/b5-4-,9-7+
InChIKeyUZXJOMKKBJVARC-XEQCUQEESA-N
MW139.20 g/mol
LogP1.61
Rot. Bonds3

About 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal

2-[[(Z)-pent-3-en-2-ylidene]amino]propanal (PubChem CID 123822724) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal.

Molecular Properties

Compound Name2-[[(Z)-pent-3-en-2-ylidene]amino]propanal
PubChem CID123822724
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[[(Z)-pent-3-en-2-ylidene]amino]propanal
SMILESC/C=C\C(C)=N\C(C)C=O
InChIInChI=1S/C8H13NO/c1-4-5-7(2)9-8(3)6-10/h4-6,8H,1-3H3/b5-4-,9-7+
InChIKeyUZXJOMKKBJVARC-XEQCUQEESA-N
XLogP1.61
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydropyridine-2,6-dicarbaldehyde
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2H-pyrrole-5-carbaldehyde
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4-Methyl-2-methyliminopent-3-enal
CID 87414246
2,3-Dihydropyridine-6-carbaldehyde
CID 89091504
(Z)-2-methyliminopent-3-enal
CID 89534309
(Z)-5-propan-2-yliminopent-3-enal
CID 90771683
(Z)-5-ethyliminopent-3-enal
CID 90848161
8-Propan-2-yliminoocta-3,5,6-trienal
CID 91282011
2-Ethyliminohex-3-enal
CID 91525888
3,4-dihydro-2H-azepine-7-carbaldehyde
CID 123669536
(Z)-2-methyliminohex-3-enal
CID 143097523
(Z)-2-ethyliminohex-3-enal
CID 143817160

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal?
The IUPAC name of 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal (CID 123822724) is 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal.
What is the SMILES notation for 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal?
The canonical SMILES for 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal is C/C=C\C(C)=N\C(C)C=O.
What is the InChIKey of 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal?
The InChIKey is UZXJOMKKBJVARC-XEQCUQEESA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-7(2)9-8(3)6-10/h4-6,8H,1-3H3/b5-4-,9-7+.
What are the key properties of 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal?
2-[[(Z)-pent-3-en-2-ylidene]amino]propanal has a molecular weight of 139.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-pent-3-en-2-ylidene]amino]propanal is sourced from PubChem (CID 123822724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).