N-propyl-1H-pyrrole-3-carboxamide

C8H12N2O — CID 21304050

IUPACN-propyl-1H-pyrrole-3-carboxamide
SMILESCCCNC(=O)c1cc[nH]c1
InChIInChI=1S/C8H12N2O/c1-2-4-10-8(11)7-3-5-9-6-7/h3,5-6,9H,2,4H2,1H3,(H,10,11)
InChIKeyMLMQMAYVLLBULH-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.15
Rot. Bonds3

About N-propyl-1H-pyrrole-3-carboxamide

N-propyl-1H-pyrrole-3-carboxamide (PubChem CID 21304050) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-propyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-propyl-1H-pyrrole-3-carboxamide
PubChem CID21304050
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-propyl-1H-pyrrole-3-carboxamide
SMILESCCCNC(=O)c1cc[nH]c1
InChIInChI=1S/C8H12N2O/c1-2-4-10-8(11)7-3-5-9-6-7/h3,5-6,9H,2,4H2,1H3,(H,10,11)
InChIKeyMLMQMAYVLLBULH-UHFFFAOYSA-N
XLogP1.15
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-propyl-1H-pyrrole-3-carboxamide (CID 21304050) is N-propyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-propyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-propyl-1H-pyrrole-3-carboxamide is CCCNC(=O)c1cc[nH]c1.
What is the InChIKey of N-propyl-1H-pyrrole-3-carboxamide?
The InChIKey is MLMQMAYVLLBULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-4-10-8(11)7-3-5-9-6-7/h3,5-6,9H,2,4H2,1H3,(H,10,11).
What are the key properties of N-propyl-1H-pyrrole-3-carboxamide?
N-propyl-1H-pyrrole-3-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 21304050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).