1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide

C14H20N2O2 — CID 114609745

IUPAC1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cccn1C1CCC1
InChIInChI=1S/C14H20N2O2/c17-10-14(6-7-14)9-15-13(18)12-5-2-8-16(12)11-3-1-4-11/h2,5,8,11,17H,1,3-4,6-7,9-10H2,(H,15,18)
InChIKeyKRQDIRCIVAHPKR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds5

About 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide

1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide (PubChem CID 114609745) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
PubChem CID114609745
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cccn1C1CCC1
InChIInChI=1S/C14H20N2O2/c17-10-14(6-7-14)9-15-13(18)12-5-2-8-16(12)11-3-1-4-11/h2,5,8,11,17H,1,3-4,6-7,9-10H2,(H,15,18)
InChIKeyKRQDIRCIVAHPKR-UHFFFAOYSA-N
XLogP1.72
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 114609636
1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide
CID 122561755
N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610311
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
CID 114609401
1-cyclobutyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyrrole-2-carboxamide
CID 114609576
4-[(1-cyclobutylpyrrole-2-carbonyl)amino]benzoic acid
CID 114608562
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
1-cyclopentyl-N-[(2-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 110007316
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide (CID 114609745) is 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide is O=C(NCC1(CO)CC1)c1cccn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
The InChIKey is KRQDIRCIVAHPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-10-14(6-7-14)9-15-13(18)12-5-2-8-16(12)11-3-1-4-11/h2,5,8,11,17H,1,3-4,6-7,9-10H2,(H,15,18).
What are the key properties of 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide?
1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 114609745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).