2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide

C10H16N2O — CID 110766101

IUPAC2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C)c(C)[nH]1
InChIInChI=1S/C10H16N2O/c1-6(2)11-10(13)9-5-7(3)12-8(9)4/h5-6,12H,1-4H3,(H,11,13)
InChIKeyORBNRNYNHPWIAV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.77
Rot. Bonds2

About 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide

2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 110766101) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide
PubChem CID110766101
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)C)c(C)[nH]1
InChIInChI=1S/C10H16N2O/c1-6(2)11-10(13)9-5-7(3)12-8(9)4/h5-6,12H,1-4H3,(H,11,13)
InChIKeyORBNRNYNHPWIAV-UHFFFAOYSA-N
XLogP1.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766106
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 130609460
1-(2,5-dimethyl-1H-pyrrol-3-yl)-3-methylbutan-1-one
CID 82490657
N-[1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 58417460
1-(2,5-dimethyl-1H-pyrrol-3-yl)prop-2-en-1-one
CID 83635361
1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one
CID 67574339
[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 31119569
cyclobutyl-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 82490597
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
CID 154795791
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766148
4-methoxy-2,5-dimethyl-N-propan-2-ylbenzamide
CID 110761568
ethane;2-methyl-N-propan-2-ylbenzamide
CID 164554205

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide (CID 110766101) is 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide is Cc1cc(C(=O)NC(C)C)c(C)[nH]1.
What is the InChIKey of 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide?
The InChIKey is ORBNRNYNHPWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)11-10(13)9-5-7(3)12-8(9)4/h5-6,12H,1-4H3,(H,11,13).
What are the key properties of 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide?
2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110766101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).