1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide

C10H15N3O — CID 115448675

IUPAC1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nn2cccc2)CCC1
InChIInChI=1S/C10H15N3O/c11-8-10(4-3-5-10)9(14)12-13-6-1-2-7-13/h1-2,6-7H,3-5,8,11H2,(H,12,14)
InChIKeyXRAOHFLLDSGRIY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.69
Rot. Bonds3

About 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide

1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide (PubChem CID 115448675) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide
PubChem CID115448675
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nn2cccc2)CCC1
InChIInChI=1S/C10H15N3O/c11-8-10(4-3-5-10)9(14)12-13-6-1-2-7-13/h1-2,6-7H,3-5,8,11H2,(H,12,14)
InChIKeyXRAOHFLLDSGRIY-UHFFFAOYSA-N
XLogP0.69
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2-pyrrol-1-ylethyl)cycloheptane-1-carboxamide
CID 106390951
1-(aminomethyl)-N-(benzenesulfonyl)cyclobutane-1-carboxamide
CID 103308752
1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
CID 80587976
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
1-(aminomethyl)-N-(2,2,3,3-tetramethylbutyl)cyclobutane-1-carboxamide
CID 115183598
1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
1-(aminomethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutane-1-carboxamide
CID 80588209
1-(aminomethyl)-N-(2,2-difluoroethyl)cyclobutane-1-carboxamide
CID 115406460
1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-(aminomethyl)-N-carbamoylcycloheptane-1-carboxamide
CID 115444211
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide (CID 115448675) is 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide is NCC1(C(=O)Nn2cccc2)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide?
The InChIKey is XRAOHFLLDSGRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-8-10(4-3-5-10)9(14)12-13-6-1-2-7-13/h1-2,6-7H,3-5,8,11H2,(H,12,14).
What are the key properties of 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-pyrrol-1-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 115448675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).