1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen

C18H30N2O — CID 145132932

IUPAC1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen
SMILESCCC(C)CCN(C)Cc1ccc(N2CCCC2=O)cc1.[H][H]
InChIInChI=1S/C18H28N2O.H2/c1-4-15(2)11-13-19(3)14-16-7-9-17(10-8-16)20-12-5-6-18(20)21;/h7-10,15H,4-6,11-14H2,1-3H3;1H
InChIKeyGBKVRXZUXWDYHR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.93
Rot. Bonds7

About 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen

1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen (PubChem CID 145132932) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen
PubChem CID145132932
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen
SMILESCCC(C)CCN(C)Cc1ccc(N2CCCC2=O)cc1.[H][H]
InChIInChI=1S/C18H28N2O.H2/c1-4-15(2)11-13-19(3)14-16-7-9-17(10-8-16)20-12-5-6-18(20)21;/h7-10,15H,4-6,11-14H2,1-3H3;1H
InChIKeyGBKVRXZUXWDYHR-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen?
The IUPAC name of 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen (CID 145132932) is 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen.
What is the SMILES notation for 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen?
The canonical SMILES for 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen is CCC(C)CCN(C)Cc1ccc(N2CCCC2=O)cc1.[H][H].
What is the InChIKey of 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen?
The InChIKey is GBKVRXZUXWDYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.H2/c1-4-15(2)11-13-19(3)14-16-7-9-17(10-8-16)20-12-5-6-18(20)21;/h7-10,15H,4-6,11-14H2,1-3H3;1H.
What are the key properties of 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen?
1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen has a molecular weight of 290.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(3-methylpentyl)amino]methyl]phenyl]pyrrolidin-2-one;molecular hydrogen is sourced from PubChem (CID 145132932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).