3-[(Z)-but-1-enyl]iminopent-4-enal

C9H13NO — CID 126695355

IUPAC3-[(Z)-but-1-enyl]iminopent-4-enal
SMILESC=C/C(CC=O)=N\C=C/CC
InChIInChI=1S/C9H13NO/c1-3-5-7-10-9(4-2)6-8-11/h4-5,7-8H,2-3,6H2,1H3/b7-5-,10-9+
InChIKeyIWZHMJYLASGTCY-ROBNAOGRSA-N
MW151.21 g/mol
LogP2.13
Rot. Bonds5

About 3-[(Z)-but-1-enyl]iminopent-4-enal

3-[(Z)-but-1-enyl]iminopent-4-enal (PubChem CID 126695355) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]iminopent-4-enal.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]iminopent-4-enal
PubChem CID126695355
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-[(Z)-but-1-enyl]iminopent-4-enal
SMILESC=C/C(CC=O)=N\C=C/CC
InChIInChI=1S/C9H13NO/c1-3-5-7-10-9(4-2)6-8-11/h4-5,7-8H,2-3,6H2,1H3/b7-5-,10-9+
InChIKeyIWZHMJYLASGTCY-ROBNAOGRSA-N
XLogP2.13
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.13
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-[(Z)-but-1-enyl]iminobut-3-en-1-ol
CID 126762670
ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal
CID 170724337
N-[(Z)-but-1-enyl]propan-2-imine;ethane
CID 145419661
N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
CID 155443629
methyl N'-[(Z)-but-1-enyl]carbamimidothioate
CID 144920980
ethane;N-ethenylpent-1-en-3-imine
CID 143591103
(2E,4Z)-2-ethenylhepta-2,4-dienal
CID 129060259
4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
CID 144654682
N-[(Z)-but-1-enyl]but-3-ynimidoyl fluoride
CID 166838368
N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane
CID 143929695
ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal
CID 143775554
(Z)-hex-3-enal
CID 162039404

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]iminopent-4-enal?
The IUPAC name of 3-[(Z)-but-1-enyl]iminopent-4-enal (CID 126695355) is 3-[(Z)-but-1-enyl]iminopent-4-enal.
What is the SMILES notation for 3-[(Z)-but-1-enyl]iminopent-4-enal?
The canonical SMILES for 3-[(Z)-but-1-enyl]iminopent-4-enal is C=C/C(CC=O)=N\C=C/CC.
What is the InChIKey of 3-[(Z)-but-1-enyl]iminopent-4-enal?
The InChIKey is IWZHMJYLASGTCY-ROBNAOGRSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-7-10-9(4-2)6-8-11/h4-5,7-8H,2-3,6H2,1H3/b7-5-,10-9+.
What are the key properties of 3-[(Z)-but-1-enyl]iminopent-4-enal?
3-[(Z)-but-1-enyl]iminopent-4-enal has a molecular weight of 151.21 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]iminopent-4-enal is sourced from PubChem (CID 126695355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).