(5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one

C10H18N2O3 — CID 102083805

IUPAC(5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one
SMILESCCC[C@H](C[N+](=O)[O-])N1C(=O)CC[C@H]1C
InChIInChI=1S/C10H18N2O3/c1-3-4-9(7-11(14)15)12-8(2)5-6-10(12)13/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyRJAAHRHQSPCYOB-RKDXNWHRSA-N
MW214.26 g/mol
LogP1.44
Rot. Bonds5

About (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one

(5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one (PubChem CID 102083805) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one
PubChem CID102083805
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one
SMILESCCC[C@H](C[N+](=O)[O-])N1C(=O)CC[C@H]1C
InChIInChI=1S/C10H18N2O3/c1-3-4-9(7-11(14)15)12-8(2)5-6-10(12)13/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyRJAAHRHQSPCYOB-RKDXNWHRSA-N
XLogP1.44
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one (CID 102083805) is (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one is CCC[C@H](C[N+](=O)[O-])N1C(=O)CC[C@H]1C.
What is the InChIKey of (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one?
The InChIKey is RJAAHRHQSPCYOB-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-4-9(7-11(14)15)12-8(2)5-6-10(12)13/h8-9H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one?
(5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one has a molecular weight of 214.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-[(2R)-1-nitropentan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 102083805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).