1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide

C11H17N3O — CID 106416698

IUPAC1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCn1cccc1CNC(=O)C1(N)CCC1
InChIInChI=1S/C11H17N3O/c1-14-7-2-4-9(14)8-13-10(15)11(12)5-3-6-11/h2,4,7H,3,5-6,8,12H2,1H3,(H,13,15)
InChIKeyKCSNDTNDXPQMPY-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.52
Rot. Bonds3

About 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide

1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 106416698) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID106416698
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCn1cccc1CNC(=O)C1(N)CCC1
InChIInChI=1S/C11H17N3O/c1-14-7-2-4-9(14)8-13-10(15)11(12)5-3-6-11/h2,4,7H,3,5-6,8,12H2,1H3,(H,13,15)
InChIKeyKCSNDTNDXPQMPY-UHFFFAOYSA-N
XLogP0.52
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
CID 106416507
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103950434
1-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 63302989
1-amino-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1-carboxamide
CID 82873363
1-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclopentane-1-carboxamide
CID 119323050
N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
4-amino-3-methyl-N-[(1-methylpyrrol-2-yl)methyl]oxolane-3-carboxamide
CID 106416741
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 106416598
4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
CID 148872611
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412
cis-(1R,2S)-4-methyl-2-[(1-methylpyrrol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114185871

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide (CID 106416698) is 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide is Cn1cccc1CNC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is KCSNDTNDXPQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-7-2-4-9(14)8-13-10(15)11(12)5-3-6-11/h2,4,7H,3,5-6,8,12H2,1H3,(H,13,15).
What are the key properties of 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide?
1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 106416698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).