2-pyrrol-1-ylhexanamide

C10H16N2O — CID 175737735

IUPAC2-pyrrol-1-ylhexanamide
SMILESCCCCC(C(N)=O)n1cccc1
InChIInChI=1S/C10H16N2O/c1-2-3-6-9(10(11)13)12-7-4-5-8-12/h4-5,7-9H,2-3,6H2,1H3,(H2,11,13)
InChIKeyLBFZPKVTFGRDKM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.70
Rot. Bonds5

About 2-pyrrol-1-ylhexanamide

2-pyrrol-1-ylhexanamide (PubChem CID 175737735) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-pyrrol-1-ylhexanamide.

Molecular Properties

Compound Name2-pyrrol-1-ylhexanamide
PubChem CID175737735
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-pyrrol-1-ylhexanamide
SMILESCCCCC(C(N)=O)n1cccc1
InChIInChI=1S/C10H16N2O/c1-2-3-6-9(10(11)13)12-7-4-5-8-12/h4-5,7-9H,2-3,6H2,1H3,(H2,11,13)
InChIKeyLBFZPKVTFGRDKM-UHFFFAOYSA-N
XLogP1.70
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-ylhexanamide?
The IUPAC name of 2-pyrrol-1-ylhexanamide (CID 175737735) is 2-pyrrol-1-ylhexanamide.
What is the SMILES notation for 2-pyrrol-1-ylhexanamide?
The canonical SMILES for 2-pyrrol-1-ylhexanamide is CCCCC(C(N)=O)n1cccc1.
What is the InChIKey of 2-pyrrol-1-ylhexanamide?
The InChIKey is LBFZPKVTFGRDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-6-9(10(11)13)12-7-4-5-8-12/h4-5,7-9H,2-3,6H2,1H3,(H2,11,13).
What are the key properties of 2-pyrrol-1-ylhexanamide?
2-pyrrol-1-ylhexanamide has a molecular weight of 180.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-ylhexanamide is sourced from PubChem (CID 175737735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).