(2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide

C12H22N2O — CID 118545272

IUPAC(2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide
SMILESC=C1CCCN1[C@@H](CC)C(=O)NC(C)C
InChIInChI=1S/C12H22N2O/c1-5-11(12(15)13-9(2)3)14-8-6-7-10(14)4/h9,11H,4-8H2,1-3H3,(H,13,15)/t11-/m0/s1
InChIKeyJCUXCQAWHNNFKD-NSHDSACASA-N
MW210.32 g/mol
LogP1.90
Rot. Bonds4

About (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide

(2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide (PubChem CID 118545272) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide
PubChem CID118545272
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide
SMILESC=C1CCCN1[C@@H](CC)C(=O)NC(C)C
InChIInChI=1S/C12H22N2O/c1-5-11(12(15)13-9(2)3)14-8-6-7-10(14)4/h9,11H,4-8H2,1-3H3,(H,13,15)/t11-/m0/s1
InChIKeyJCUXCQAWHNNFKD-NSHDSACASA-N
XLogP1.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide (CID 118545272) is (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide is C=C1CCCN1[C@@H](CC)C(=O)NC(C)C.
What is the InChIKey of (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide?
The InChIKey is JCUXCQAWHNNFKD-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-11(12(15)13-9(2)3)14-8-6-7-10(14)4/h9,11H,4-8H2,1-3H3,(H,13,15)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide?
(2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide has a molecular weight of 210.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylidenepyrrolidin-1-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 118545272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).