1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide

C11H16N2O2 — CID 115184067

IUPAC1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ccc[nH]1)C1(CO)CCC1
InChIInChI=1S/C11H16N2O2/c14-8-11(4-2-5-11)10(15)13-7-9-3-1-6-12-9/h1,3,6,12,14H,2,4-5,7-8H2,(H,13,15)
InChIKeyOUAOMCNMAQJZPD-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds4

About 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide

1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 115184067) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
PubChem CID115184067
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide
SMILESO=C(NCc1ccc[nH]1)C1(CO)CCC1
InChIInChI=1S/C11H16N2O2/c14-8-11(4-2-5-11)10(15)13-7-9-3-1-6-12-9/h1,3,6,12,14H,2,4-5,7-8H2,(H,13,15)
InChIKeyOUAOMCNMAQJZPD-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-(1H-pyrrol-2-ylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 115184286
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
1-(hydroxymethyl)-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 115184040
N-[(3-bromophenyl)methyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184081
1-(hydroxymethyl)-N-[(4-propylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184056
1-(hydroxymethyl)-N-[(4-propan-2-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184042
N-(1H-pyrrol-2-ylmethyl)cyclopentanecarboxamide
CID 110461302
1-(hydroxymethyl)-N-[(4-methylsulfanylphenyl)methyl]cyclobutane-1-carboxamide
CID 115184071
3-[(1H-pyrrol-2-ylmethylamino)methyl]oxetane-3-carboxylic acid
CID 115248431
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
1-(1H-pyrrol-2-ylmethyl)cyclopropane-1-carboxylic acid
CID 116928765
N'-(1H-pyrrol-2-ylmethyl)oxamide
CID 115191836

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide (CID 115184067) is 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide is O=C(NCc1ccc[nH]1)C1(CO)CCC1.
What is the InChIKey of 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is OUAOMCNMAQJZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-8-11(4-2-5-11)10(15)13-7-9-3-1-6-12-9/h1,3,6,12,14H,2,4-5,7-8H2,(H,13,15).
What are the key properties of 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-(1H-pyrrol-2-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 115184067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).