(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone

C12H17N3O — CID 114610392

IUPAC(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
SMILESNC1CN(C(=O)c2cccn2C2CCC2)C1
InChIInChI=1S/C12H17N3O/c13-9-7-14(8-9)12(16)11-5-2-6-15(11)10-3-1-4-10/h2,5-6,9-10H,1,3-4,7-8,13H2
InChIKeyJRXVMWXVFIICTC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.00
Rot. Bonds2

About (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone

(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone (PubChem CID 114610392) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
PubChem CID114610392
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
SMILESNC1CN(C(=O)c2cccn2C2CCC2)C1
InChIInChI=1S/C12H17N3O/c13-9-7-14(8-9)12(16)11-5-2-6-15(11)10-3-1-4-10/h2,5-6,9-10H,1,3-4,7-8,13H2
InChIKeyJRXVMWXVFIICTC-UHFFFAOYSA-N
XLogP1.00
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689740
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406232
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716093
N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610482
(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 138004302
(1-cyclopropylpyrrol-2-yl)-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97124412
[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610133
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
3-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217489

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone (CID 114610392) is (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone is NC1CN(C(=O)c2cccn2C2CCC2)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone?
The InChIKey is JRXVMWXVFIICTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-9-7-14(8-9)12(16)11-5-2-6-15(11)10-3-1-4-10/h2,5-6,9-10H,1,3-4,7-8,13H2.
What are the key properties of (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone?
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone is sourced from PubChem (CID 114610392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).