methane;3-methyl-1-pyridin-2-ylbutan-2-one

C11H17NO — CID 159764567

IUPACmethane;3-methyl-1-pyridin-2-ylbutan-2-one
SMILESC.CC(C)C(=O)Cc1ccccn1
InChIInChI=1S/C10H13NO.CH4/c1-8(2)10(12)7-9-5-3-4-6-11-9;/h3-6,8H,7H2,1-2H3;1H4
InChIKeyNFIIJWPVMMLCEA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.49
Rot. Bonds3

About methane;3-methyl-1-pyridin-2-ylbutan-2-one

methane;3-methyl-1-pyridin-2-ylbutan-2-one (PubChem CID 159764567) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is methane;3-methyl-1-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Namemethane;3-methyl-1-pyridin-2-ylbutan-2-one
PubChem CID159764567
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Namemethane;3-methyl-1-pyridin-2-ylbutan-2-one
SMILESC.CC(C)C(=O)Cc1ccccn1
InChIInChI=1S/C10H13NO.CH4/c1-8(2)10(12)7-9-5-3-4-6-11-9;/h3-6,8H,7H2,1-2H3;1H4
InChIKeyNFIIJWPVMMLCEA-UHFFFAOYSA-N
XLogP2.49
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-oxo-4-pyridin-2-ylbutan-2-yl)carbamic acid
CID 67240305
3-methyl-4-(methylamino)-1-pyridin-2-ylbutan-2-one
CID 116586998
4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one
CID 103311490
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
(3S)-3-hydroxy-3,4-dimethyl-1-pyridin-2-ylpentan-2-one
CID 125490825
CID 131857449
CID 131857449
3-ethoxy-1-pyridin-2-ylhexan-2-one
CID 116707835
3-methyl-1-(4-propan-2-yl-2-pyridinyl)butan-2-one
CID 90087197
4-methyl-1-pyridin-2-ylheptan-2-one
CID 62620777
N-(4-hydroxybutan-2-yl)-2-pyridin-2-ylacetamide
CID 83188668
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
molecular hydrogen;2-pyridin-2-ylacetamide
CID 145224814

Frequently Asked Questions

What is the IUPAC name of methane;3-methyl-1-pyridin-2-ylbutan-2-one?
The IUPAC name of methane;3-methyl-1-pyridin-2-ylbutan-2-one (CID 159764567) is methane;3-methyl-1-pyridin-2-ylbutan-2-one.
What is the SMILES notation for methane;3-methyl-1-pyridin-2-ylbutan-2-one?
The canonical SMILES for methane;3-methyl-1-pyridin-2-ylbutan-2-one is C.CC(C)C(=O)Cc1ccccn1.
What is the InChIKey of methane;3-methyl-1-pyridin-2-ylbutan-2-one?
The InChIKey is NFIIJWPVMMLCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO.CH4/c1-8(2)10(12)7-9-5-3-4-6-11-9;/h3-6,8H,7H2,1-2H3;1H4.
What are the key properties of methane;3-methyl-1-pyridin-2-ylbutan-2-one?
methane;3-methyl-1-pyridin-2-ylbutan-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methyl-1-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 159764567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).