2-methyl-1-(1-methylindazol-3-yl)pentan-1-one

C14H18N2O — CID 107891232

IUPAC2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
SMILESCCCC(C)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-4-7-10(2)14(17)13-11-8-5-6-9-12(11)16(3)15-13/h5-6,8-10H,4,7H2,1-3H3
InChIKeyGYCBWLNDQIZOCG-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.19
Rot. Bonds4

About 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one

2-methyl-1-(1-methylindazol-3-yl)pentan-1-one (PubChem CID 107891232) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
PubChem CID107891232
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-methyl-1-(1-methylindazol-3-yl)pentan-1-one
SMILESCCCC(C)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H18N2O/c1-4-7-10(2)14(17)13-11-8-5-6-9-12(11)16(3)15-13/h5-6,8-10H,4,7H2,1-3H3
InChIKeyGYCBWLNDQIZOCG-UHFFFAOYSA-N
XLogP3.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1-methylindazole-3-carbonyl)amino]pentanoic acid
CID 107564755
3-(1-methylindazole-3-carbonyl)pentane-2,4-dione
CID 103119426
3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile
CID 103118535
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
N-(5-aminopentan-2-yl)-1-methylindazole-3-carboxamide
CID 103123150
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
1-(furan-2-yl)-2-methyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119304
N-decan-3-yl-1-methylindazole-3-carboxamide
CID 67866590
3-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103116476
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
3-(aminomethyl)-1-(1-methylindazol-3-yl)hexan-2-one
CID 116574544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one?
The IUPAC name of 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one (CID 107891232) is 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one?
The canonical SMILES for 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one is CCCC(C)C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one?
The InChIKey is GYCBWLNDQIZOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-7-10(2)14(17)13-11-8-5-6-9-12(11)16(3)15-13/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one?
2-methyl-1-(1-methylindazol-3-yl)pentan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylindazol-3-yl)pentan-1-one is sourced from PubChem (CID 107891232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).