(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone

C16H24N2O2 — CID 107406232

IUPAC(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cccn2C2CCC2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(20)8-4-10-17(12-9-16)15(19)14-7-3-11-18(14)13-5-2-6-13/h3,7,11,13,20H,2,4-6,8-10,12H2,1H3
InChIKeyFACJWHJAAJSYGY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.59
Rot. Bonds2

About (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone

(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone (PubChem CID 107406232) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
PubChem CID107406232
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
SMILESCC1(O)CCCN(C(=O)c2cccn2C2CCC2)CC1
InChIInChI=1S/C16H24N2O2/c1-16(20)8-4-10-17(12-9-16)15(19)14-7-3-11-18(14)13-5-2-6-13/h3,7,11,13,20H,2,4-6,8-10,12H2,1H3
InChIKeyFACJWHJAAJSYGY-UHFFFAOYSA-N
XLogP2.59
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclopentylpyrrol-2-yl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110009433
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
1-(1-cyclopropylpyrrole-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125271
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
2-[1-(1-cyclobutylpyrrole-2-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657589
(2-chlorophenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406239
(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 114610398
(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 138004302
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
(4-hydroxy-4-methylazepan-1-yl)-pyridazin-4-ylmethanone
CID 107405992
(4-hydroxy-4-methylazepan-1-yl)-(4-sulfanylphenyl)methanone
CID 107408930
4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63607405

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The IUPAC name of (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone (CID 107406232) is (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone.
What is the SMILES notation for (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The canonical SMILES for (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone is CC1(O)CCCN(C(=O)c2cccn2C2CCC2)CC1.
What is the InChIKey of (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
The InChIKey is FACJWHJAAJSYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(20)8-4-10-17(12-9-16)15(19)14-7-3-11-18(14)13-5-2-6-13/h3,7,11,13,20H,2,4-6,8-10,12H2,1H3.
What are the key properties of (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone?
(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone is sourced from PubChem (CID 107406232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).