[(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate

C14H19NO2 — CID 142936511

IUPAC[(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate
SMILES[H]/N=C(\O/C(=C/CC)CC)c1cccc(OC)c1
InChIInChI=1S/C14H19NO2/c1-4-7-12(5-2)17-14(15)11-8-6-9-13(10-11)16-3/h6-10,15H,4-5H2,1-3H3/b12-7+,15-14-
InChIKeyYTADVUGITUKJSF-RQHVUCQOSA-N
MW233.31 g/mol
LogP3.74
Rot. Bonds5

About [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate

[(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate (PubChem CID 142936511) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate.

Molecular Properties

Compound Name[(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate
PubChem CID142936511
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name[(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate
SMILES[H]/N=C(\O/C(=C/CC)CC)c1cccc(OC)c1
InChIInChI=1S/C14H19NO2/c1-4-7-12(5-2)17-14(15)11-8-6-9-13(10-11)16-3/h6-10,15H,4-5H2,1-3H3/b12-7+,15-14-
InChIKeyYTADVUGITUKJSF-RQHVUCQOSA-N
XLogP3.74
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;fluoroform;[(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate
CID 142936510
2-phenylpropanimidoyl 3-methoxybenzenecarboximidate
CID 142004050
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
3-methoxy-N,N-dimethylbenzenecarboximidamide
CID 63182019
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-(3-methoxybenzenecarboximidoyl)benzonitrile
CID 175142380
N-[1-(3-methoxyphenyl)propylidene]hydroxylamine
CID 159100892
(Z)-N-methoxy-1-(3-methoxyphenyl)propan-1-imine
CID 20642400
1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene
CID 175363200
N-ethyl-4-(3-methoxyphenyl)pent-3-en-1-amine
CID 79599241
(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine
CID 115038096
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate?
The IUPAC name of [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate (CID 142936511) is [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate.
What is the SMILES notation for [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate?
The canonical SMILES for [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate is [H]/N=C(\O/C(=C/CC)CC)c1cccc(OC)c1.
What is the InChIKey of [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate?
The InChIKey is YTADVUGITUKJSF-RQHVUCQOSA-N. The full InChI is InChI=1S/C14H19NO2/c1-4-7-12(5-2)17-14(15)11-8-6-9-13(10-11)16-3/h6-10,15H,4-5H2,1-3H3/b12-7+,15-14-.
What are the key properties of [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate?
[(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate has a molecular weight of 233.31 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-3-en-3-yl] 3-methoxybenzenecarboximidate is sourced from PubChem (CID 142936511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).