N-cycloheptyl-1-methylpyrrole-2-carboxamide

C13H20N2O — CID 2533538

IUPACN-cycloheptyl-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H20N2O/c1-15-10-6-9-12(15)13(16)14-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,14,16)
InChIKeyLUYLNJFWOBUKPM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.48
Rot. Bonds2

About N-cycloheptyl-1-methylpyrrole-2-carboxamide

N-cycloheptyl-1-methylpyrrole-2-carboxamide (PubChem CID 2533538) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-cycloheptyl-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-methylpyrrole-2-carboxamide
PubChem CID2533538
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-cycloheptyl-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H20N2O/c1-15-10-6-9-12(15)13(16)14-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,14,16)
InChIKeyLUYLNJFWOBUKPM-UHFFFAOYSA-N
XLogP2.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-cycloheptyl-1-methylpyrrole-2-carboxamide (CID 2533538) is N-cycloheptyl-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-1-methylpyrrole-2-carboxamide?
The InChIKey is LUYLNJFWOBUKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15-10-6-9-12(15)13(16)14-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,14,16).
What are the key properties of N-cycloheptyl-1-methylpyrrole-2-carboxamide?
N-cycloheptyl-1-methylpyrrole-2-carboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 2533538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).