methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate

C12H17NO2 — CID 101064041

IUPACmethyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1CC=CC1C1=CCCCC1
InChIInChI=1S/C12H17NO2/c1-15-12(14)13-9-5-8-11(13)10-6-3-2-4-7-10/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyNQQKZTWQDSAPRT-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.49
Rot. Bonds1

About methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate

methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate (PubChem CID 101064041) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate
PubChem CID101064041
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1CC=CC1C1=CCCCC1
InChIInChI=1S/C12H17NO2/c1-15-12(14)13-9-5-8-11(13)10-6-3-2-4-7-10/h5-6,8,11H,2-4,7,9H2,1H3
InChIKeyNQQKZTWQDSAPRT-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-(4-methoxyphenyl)-2,5-dihydropyrrole-1-carboxylate
CID 101262561
1-cyclopent-2-en-1-ylcyclohexene
CID 14358731
methyl 2-(cyclohexen-1-yl)-1-methyl-5-oxocyclopentane-1-carboxylate
CID 24972285
dimethyl (1R,4R)-2,3-di(cyclohexen-1-yl)cyclohexa-2,5-diene-1,4-dicarboxylate
CID 10021186
methyl cyclododecene-1-carboxylate
CID 54564642
methyl 3-(cyclohexen-1-yl)prop-2-enoate
CID 53425583
methyl 1-acetyl-2,5-dihydropyrrole-2-carboxylate
CID 45086476
methyl (2S)-2-phenacyl-2,5-dihydropyrrole-1-carboxylate
CID 163183549
1-[(1R,2R)-2-(cyclohexen-1-yl)cyclohexyl]ethanone
CID 71527330
methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate
CID 102138920
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
1-(3,4-dimethylcyclopentyl)cycloheptene
CID 153303899

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate (CID 101064041) is methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate is COC(=O)N1CC=CC1C1=CCCCC1.
What is the InChIKey of methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate?
The InChIKey is NQQKZTWQDSAPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-15-12(14)13-9-5-8-11(13)10-6-3-2-4-7-10/h5-6,8,11H,2-4,7,9H2,1H3.
What are the key properties of methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate?
methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate has a molecular weight of 207.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 101064041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).