N-cycloheptyl-2-pyrrol-1-ylacetamide

C13H20N2O — CID 3239634

IUPACN-cycloheptyl-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCCCCC1
InChIInChI=1S/C13H20N2O/c16-13(11-15-9-5-6-10-15)14-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,14,16)
InChIKeyHHFBHCIERIPXLZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.33
Rot. Bonds3

About N-cycloheptyl-2-pyrrol-1-ylacetamide

N-cycloheptyl-2-pyrrol-1-ylacetamide (PubChem CID 3239634) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-cycloheptyl-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-pyrrol-1-ylacetamide
PubChem CID3239634
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-cycloheptyl-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCCCCC1
InChIInChI=1S/C13H20N2O/c16-13(11-15-9-5-6-10-15)14-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,14,16)
InChIKeyHHFBHCIERIPXLZ-UHFFFAOYSA-N
XLogP2.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-pyrrol-1-ylacetamide?
The IUPAC name of N-cycloheptyl-2-pyrrol-1-ylacetamide (CID 3239634) is N-cycloheptyl-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-cycloheptyl-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-cycloheptyl-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-pyrrol-1-ylacetamide?
The InChIKey is HHFBHCIERIPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13(11-15-9-5-6-10-15)14-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11H2,(H,14,16).
What are the key properties of N-cycloheptyl-2-pyrrol-1-ylacetamide?
N-cycloheptyl-2-pyrrol-1-ylacetamide has a molecular weight of 220.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 3239634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).