methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate

C16H25NO2 — CID 10061319

IUPACmethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate
SMILESC=CCC1(C(=O)OC)CCCCC=C1N1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-10-16(15(18)19-2)11-6-4-5-9-14(16)17-12-7-8-13-17/h3,9H,1,4-8,10-13H2,2H3
InChIKeyOSFAPJNTOMXVCX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.28
Rot. Bonds4

About methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate

methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate (PubChem CID 10061319) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate
PubChem CID10061319
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate
SMILESC=CCC1(C(=O)OC)CCCCC=C1N1CCCC1
InChIInChI=1S/C16H25NO2/c1-3-10-16(15(18)19-2)11-6-4-5-9-14(16)17-12-7-8-13-17/h3,9H,1,4-8,10-13H2,2H3
InChIKeyOSFAPJNTOMXVCX-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate 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

Methyl 5-pyrrolidin-1-ylspiro[5.5]undec-2-ene-4-carboxylate
CID 134980804
ethyl 7-[(1R,5R)-5-oct-1-enyl-2-pyrrolidin-1-ylcyclopent-2-en-1-yl]heptanoate
CID 68121789
ethyl 7-[(1R,5R)-5-[(E)-oct-1-enyl]-2-pyrrolidin-1-ylcyclopent-2-en-1-yl]heptanoate
CID 88825258
ethyl 1-[(E)-prop-1-enyl]-2-pyrrolidin-1-ylcyclohex-2-ene-1-carboxylate
CID 10061318
Methyl 1-methyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate
CID 10444172
Ethyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclopent-2-ene-1-carboxylate
CID 11776839

Frequently Asked Questions

What is the IUPAC name of methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate?
The IUPAC name of methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate (CID 10061319) is methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate.
What is the SMILES notation for methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate?
The canonical SMILES for methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate is C=CCC1(C(=O)OC)CCCCC=C1N1CCCC1.
What is the InChIKey of methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate?
The InChIKey is OSFAPJNTOMXVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-10-16(15(18)19-2)11-6-4-5-9-14(16)17-12-7-8-13-17/h3,9H,1,4-8,10-13H2,2H3.
What are the key properties of methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate?
methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-prop-2-enyl-2-pyrrolidin-1-ylcyclohept-2-ene-1-carboxylate is sourced from PubChem (CID 10061319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).