(3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one

C9H16N2O — CID 166078625

IUPAC(3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one
SMILESCC(C)/C=N/[C@]1(C)CCNC1=O
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-9(3)4-5-10-8(9)12/h6-7H,4-5H2,1-3H3,(H,10,12)/b11-6+/t9-/m1/s1
InChIKeyIPTAIQCFKTWGLV-VKRGWIQLSA-N
MW168.24 g/mol
LogP0.99
Rot. Bonds2

About (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one

(3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one (PubChem CID 166078625) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one
PubChem CID166078625
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one
SMILESCC(C)/C=N/[C@]1(C)CCNC1=O
InChIInChI=1S/C9H16N2O/c1-7(2)6-11-9(3)4-5-10-8(9)12/h6-7H,4-5H2,1-3H3,(H,10,12)/b11-6+/t9-/m1/s1
InChIKeyIPTAIQCFKTWGLV-VKRGWIQLSA-N
XLogP0.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one?
The IUPAC name of (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one (CID 166078625) is (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one is CC(C)/C=N/[C@]1(C)CCNC1=O.
What is the InChIKey of (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one?
The InChIKey is IPTAIQCFKTWGLV-VKRGWIQLSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)6-11-9(3)4-5-10-8(9)12/h6-7H,4-5H2,1-3H3,(H,10,12)/b11-6+/t9-/m1/s1.
What are the key properties of (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one?
(3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-(2-methylpropylideneamino)pyrrolidin-2-one is sourced from PubChem (CID 166078625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).