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

C15H25NO2 — CID 178098891

IUPACethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
SMILESCC.COC1(Cn2cccc(C(C)C)c2=O)CC1
InChIInChI=1S/C13H19NO2.C2H6/c1-10(2)11-5-4-8-14(12(11)15)9-13(16-3)6-7-13;1-2/h4-5,8,10H,6-7,9H2,1-3H3;1-2H3
InChIKeyZYIPTFKQIIAWSH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.18
Rot. Bonds4

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

ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one (PubChem CID 178098891) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Nameethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
PubChem CID178098891
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nameethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one
SMILESCC.COC1(Cn2cccc(C(C)C)c2=O)CC1
InChIInChI=1S/C13H19NO2.C2H6/c1-10(2)11-5-4-8-14(12(11)15)9-13(16-3)6-7-13;1-2/h4-5,8,10H,6-7,9H2,1-3H3;1-2H3
InChIKeyZYIPTFKQIIAWSH-UHFFFAOYSA-N
XLogP3.18
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one?
The IUPAC name of ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one (CID 178098891) is ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one?
The canonical SMILES for ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one is CC.COC1(Cn2cccc(C(C)C)c2=O)CC1.
What is the InChIKey of ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one?
The InChIKey is ZYIPTFKQIIAWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2.C2H6/c1-10(2)11-5-4-8-14(12(11)15)9-13(16-3)6-7-13;1-2/h4-5,8,10H,6-7,9H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one?
ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one has a molecular weight of 251.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-methoxycyclopropyl)methyl]-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178098891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).