N-propan-2-yl-2H-pyrrole-5-carboxamide

C8H12N2O — CID 134452772

IUPACN-propan-2-yl-2H-pyrrole-5-carboxamide
SMILESCC(C)NC(=O)C1=NCC=C1
InChIInChI=1S/C8H12N2O/c1-6(2)10-8(11)7-4-3-5-9-7/h3-4,6H,5H2,1-2H3,(H,10,11)
InChIKeyXWYPFPBIKGGKQV-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.52
Rot. Bonds2

About N-propan-2-yl-2H-pyrrole-5-carboxamide

N-propan-2-yl-2H-pyrrole-5-carboxamide (PubChem CID 134452772) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-propan-2-yl-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2H-pyrrole-5-carboxamide
PubChem CID134452772
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-propan-2-yl-2H-pyrrole-5-carboxamide
SMILESCC(C)NC(=O)C1=NCC=C1
InChIInChI=1S/C8H12N2O/c1-6(2)10-8(11)7-4-3-5-9-7/h3-4,6H,5H2,1-2H3,(H,10,11)
InChIKeyXWYPFPBIKGGKQV-UHFFFAOYSA-N
XLogP0.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
CID 171990203
N,3-dimethyl-2H-pyrrole-5-carboxamide
CID 68063512
5-amino-N,4,5-trimethylpyrrole-2-carboxamide
CID 68087536
5-amino-N-cyclopropyl-4,5-dimethylpyrrole-2-carboxamide
CID 68087792
5-amino-N-butan-2-yl-4,5-dimethylpyrrole-2-carboxamide
CID 70794845
3-prop-1-enyl-5,6,7,8,9,10-hexahydro-1H-1,4-diazecin-2-one
CID 91425388
N,N,2-trimethyl-2H-pyrrole-5-carboxamide
CID 118540820
6-imino-2,3-dihydro-1H-azepin-7-one
CID 123178649
N-cyclopropyl-2-imino-4-methylpent-3-enamide
CID 123336525
2,2-dimethyl-5-methylimino-N-(2-methyliminohex-5-en-3-yl)hex-3-enamide
CID 123613729
N-[1-(ethylamino)propan-2-yl]-2-methyliminopent-3-enamide
CID 123673961
(Z)-2-imino-N-methyl-N-propan-2-ylpent-3-enamide
CID 123921962

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2H-pyrrole-5-carboxamide?
The IUPAC name of N-propan-2-yl-2H-pyrrole-5-carboxamide (CID 134452772) is N-propan-2-yl-2H-pyrrole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-2H-pyrrole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-2H-pyrrole-5-carboxamide is CC(C)NC(=O)C1=NCC=C1.
What is the InChIKey of N-propan-2-yl-2H-pyrrole-5-carboxamide?
The InChIKey is XWYPFPBIKGGKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6(2)10-8(11)7-4-3-5-9-7/h3-4,6H,5H2,1-2H3,(H,10,11).
What are the key properties of N-propan-2-yl-2H-pyrrole-5-carboxamide?
N-propan-2-yl-2H-pyrrole-5-carboxamide has a molecular weight of 152.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 134452772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).