ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal

C10H17NO — CID 170724337

IUPACethane;3-[(Z)-prop-1-enyl]iminopent-4-enal
SMILESC=C/C(CC=O)=N\C=C/C.CC
InChIInChI=1S/C8H11NO.C2H6/c1-3-6-9-8(4-2)5-7-10;1-2/h3-4,6-7H,2,5H2,1H3;1-2H3/b6-3-,9-8+;
InChIKeyIIDRVQAECCXABJ-DWWAHBQSSA-N
MW167.25 g/mol
LogP2.76
Rot. Bonds4

About ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal

ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal (PubChem CID 170724337) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal.

Molecular Properties

Compound Nameethane;3-[(Z)-prop-1-enyl]iminopent-4-enal
PubChem CID170724337
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Nameethane;3-[(Z)-prop-1-enyl]iminopent-4-enal
SMILESC=C/C(CC=O)=N\C=C/C.CC
InChIInChI=1S/C8H11NO.C2H6/c1-3-6-9-8(4-2)5-7-10;1-2/h3-4,6-7H,2,5H2,1H3;1-2H3/b6-3-,9-8+;
InChIKeyIIDRVQAECCXABJ-DWWAHBQSSA-N
XLogP2.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.76
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

3-[(Z)-but-1-enyl]iminopent-4-enal
CID 126695355
N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine;ethane
CID 144654671
3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
N,4-dimethyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
CID 144654672
4-ethyl-N-methyl-N-[2-[(Z)-prop-1-enyl]iminobut-3-enyl]cyclohexan-1-amine
CID 144654682
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
ethane;methanamine;(3Z)-3-[(methylideneamino)methylidene]pent-4-enal
CID 143775554
ethane;N-ethenylpent-1-en-3-imine
CID 143591103
N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide
CID 155705669
2-[(Z)-but-1-enyl]iminobut-3-en-1-ol
CID 126762670
4-[(Z)-prop-1-enyl]iminopentan-2-one
CID 144630009
N-[(Z)-prop-1-enyl]butan-2-imine
CID 11126202

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal?
The IUPAC name of ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal (CID 170724337) is ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal.
What is the SMILES notation for ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal?
The canonical SMILES for ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal is C=C/C(CC=O)=N\C=C/C.CC.
What is the InChIKey of ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal?
The InChIKey is IIDRVQAECCXABJ-DWWAHBQSSA-N. The full InChI is InChI=1S/C8H11NO.C2H6/c1-3-6-9-8(4-2)5-7-10;1-2/h3-4,6-7H,2,5H2,1H3;1-2H3/b6-3-,9-8+;.
What are the key properties of ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal?
ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal has a molecular weight of 167.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(Z)-prop-1-enyl]iminopent-4-enal is sourced from PubChem (CID 170724337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).