N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide

C9H14N2O2 — CID 141279449

IUPACN-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
SMILESCCC(CO)NC(=O)c1cc[nH]c1
InChIInChI=1S/C9H14N2O2/c1-2-8(6-12)11-9(13)7-3-4-10-5-7/h3-5,8,10,12H,2,6H2,1H3,(H,11,13)
InChIKeyCSALEAHUHNVLML-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.52
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide

N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 141279449) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID141279449
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
SMILESCCC(CO)NC(=O)c1cc[nH]c1
InChIInChI=1S/C9H14N2O2/c1-2-8(6-12)11-9(13)7-3-4-10-5-7/h3-5,8,10,12H,2,6H2,1H3,(H,11,13)
InChIKeyCSALEAHUHNVLML-UHFFFAOYSA-N
XLogP0.52
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid
CID 83617800
N-[(2S)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032259
N-[(2R)-1-hydroxybutan-2-yl]-4-propan-2-ylbenzamide
CID 93032260
N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
CID 131929450
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-6-carboxamide
CID 103920171
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 93081057
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
N-[(2S)-1-hydroxybutan-2-yl]-3-iodobenzamide
CID 104981700
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
3-chloro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 786712

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide (CID 141279449) is N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide is CCC(CO)NC(=O)c1cc[nH]c1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is CSALEAHUHNVLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-8(6-12)11-9(13)7-3-4-10-5-7/h3-5,8,10,12H,2,6H2,1H3,(H,11,13).
What are the key properties of N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide?
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141279449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).