N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide

C11H16N2O2 — CID 141125919

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc[nH]c1)C1CC1
InChIInChI=1S/C11H16N2O2/c1-11(15,9-2-3-9)7-13-10(14)8-4-5-12-6-8/h4-6,9,12,15H,2-3,7H2,1H3,(H,13,14)
InChIKeyQQIFSWDYHJTDSG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide (PubChem CID 141125919) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide
PubChem CID141125919
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cc[nH]c1)C1CC1
InChIInChI=1S/C11H16N2O2/c1-11(15,9-2-3-9)7-13-10(14)8-4-5-12-6-8/h4-6,9,12,15H,2-3,7H2,1H3,(H,13,14)
InChIKeyQQIFSWDYHJTDSG-UHFFFAOYSA-N
XLogP0.91
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1H-pyrrole-3-carboxamide
CID 23057984
4-fluoro-4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 91345504
N-(4,4,4-trifluoro-3-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141125893
N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide
CID 141125916
N-[(2S)-3-hydroxy-3-prop-2-enylhex-5-en-2-yl]-1H-pyrrole-3-carboxamide
CID 129617136
(4,4-difluoro-3-methylpiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 126782310
4-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrrole-3-carboxamide
CID 126819436
[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129487614
[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129487615
N-[3-fluoro-1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]-4-methyl-3-propan-2-ylpentanamide
CID 166374076
3-(1H-pyrrole-3-carbonylamino)propanoic acid
CID 10655004
3-[methyl(1H-pyrrole-3-carbonyl)amino]propanoic acid
CID 20642909

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide (CID 141125919) is N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide is CC(O)(CNC(=O)c1cc[nH]c1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide?
The InChIKey is QQIFSWDYHJTDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(15,9-2-3-9)7-13-10(14)8-4-5-12-6-8/h4-6,9,12,15H,2-3,7H2,1H3,(H,13,14).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141125919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).