(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine

C11H21N — CID 59610152

IUPAC(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine
SMILESC=C1C[C@@H](C(C)C)N(C(C)C)C1
InChIInChI=1S/C11H21N/c1-8(2)11-6-10(5)7-12(11)9(3)4/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyXVWKXQRQOYNFCT-NSHDSACASA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds2

About (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine

(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 59610152) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine
PubChem CID59610152
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine
SMILESC=C1C[C@@H](C(C)C)N(C(C)C)C1
InChIInChI=1S/C11H21N/c1-8(2)11-6-10(5)7-12(11)9(3)4/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1
InChIKeyXVWKXQRQOYNFCT-NSHDSACASA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine (CID 59610152) is (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine is C=C1C[C@@H](C(C)C)N(C(C)C)C1.
What is the InChIKey of (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is XVWKXQRQOYNFCT-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N/c1-8(2)11-6-10(5)7-12(11)9(3)4/h8-9,11H,5-7H2,1-4H3/t11-/m0/s1.
What are the key properties of (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine?
(2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylidene-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 59610152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).