1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one

C13H19NO2 — CID 178098892

IUPAC1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
SMILESCOC1(Cn2cccc(C(C)C)c2=O)CC1
InChIInChI=1S/C13H19NO2/c1-10(2)11-5-4-8-14(12(11)15)9-13(16-3)6-7-13/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyMNIVEXYCXLSYRH-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds4

About 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one

1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one (PubChem CID 178098892) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
PubChem CID178098892
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
SMILESCOC1(Cn2cccc(C(C)C)c2=O)CC1
InChIInChI=1S/C13H19NO2/c1-10(2)11-5-4-8-14(12(11)15)9-13(16-3)6-7-13/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyMNIVEXYCXLSYRH-UHFFFAOYSA-N
XLogP2.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
CID 178098891
1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
CID 178098988
1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178098981
N,N-dimethyl-2-propan-2-ylbenzamide;1-ethyl-3-propan-2-ylpyridin-2-one
CID 177347775
3-propan-2-yl-1-[[2-[(3-propan-2-yl-2-pyridinyl)oxy]cyclopropyl]methyl]pyridin-2-one
CID 170387634
3-[amino-(4-chlorophenyl)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526521
1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one
CID 177200034
1-[[1-(bromomethyl)cyclobutyl]methyl]-3-methylpyridin-2-one
CID 65007887
2-propan-2-yl-1-[2-(2-propan-2-ylpyrrol-1-yl)ethyl]pyrrole
CID 15112359
1-(2-methoxyethyl)-3-(propan-2-ylamino)pyridin-2-one
CID 139373358
3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526360
3-methyl-1-(3-methylbutyl)pyridin-2-one
CID 59562300

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one (CID 178098892) is 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one is COC1(Cn2cccc(C(C)C)c2=O)CC1.
What is the InChIKey of 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one?
The InChIKey is MNIVEXYCXLSYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)11-5-4-8-14(12(11)15)9-13(16-3)6-7-13/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one?
1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178098892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).