4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide

C13H20N2O — CID 123449048

IUPAC4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide
SMILESC=C1C=C(NC(=O)C2CC(C)CN2)CCC1
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-11(6-9)15-13(16)12-7-10(2)8-14-12/h6,10,12,14H,1,3-5,7-8H2,2H3,(H,15,16)
InChIKeyOXYPUIJTXCEGFS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.72
Rot. Bonds2

About 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide

4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide (PubChem CID 123449048) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide
PubChem CID123449048
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide
SMILESC=C1C=C(NC(=O)C2CC(C)CN2)CCC1
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-11(6-9)15-13(16)12-7-10(2)8-14-12/h6,10,12,14H,1,3-5,7-8H2,2H3,(H,15,16)
InChIKeyOXYPUIJTXCEGFS-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175623938
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CID 170581837
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CID 70297729
CID 70297729
CID 70805359
CID 70805359
CID 88880430
CID 88880430
CID 123611945
CID 123611945
CID 130371800
CID 130371800
CID 132174790
CID 132174790
CID 141045695
CID 141045695

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide (CID 123449048) is 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide is C=C1C=C(NC(=O)C2CC(C)CN2)CCC1.
What is the InChIKey of 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is OXYPUIJTXCEGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-3-5-11(6-9)15-13(16)12-7-10(2)8-14-12/h6,10,12,14H,1,3-5,7-8H2,2H3,(H,15,16).
What are the key properties of 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide?
4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylidenecyclohexen-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123449048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).