(3E)-3-(2,2-dimethylpentylidene)pyrrolidine

C11H21N — CID 146324332

IUPAC(3E)-3-(2,2-dimethylpentylidene)pyrrolidine
SMILESCCCC(C)(C)/C=C1\CCNC1
InChIInChI=1S/C11H21N/c1-4-6-11(2,3)8-10-5-7-12-9-10/h8,12H,4-7,9H2,1-3H3/b10-8+
InChIKeyBNIGKNNLQCWJAP-CSKARUKUSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds3

About (3E)-3-(2,2-dimethylpentylidene)pyrrolidine

(3E)-3-(2,2-dimethylpentylidene)pyrrolidine (PubChem CID 146324332) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (3E)-3-(2,2-dimethylpentylidene)pyrrolidine.

Molecular Properties

Compound Name(3E)-3-(2,2-dimethylpentylidene)pyrrolidine
PubChem CID146324332
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(3E)-3-(2,2-dimethylpentylidene)pyrrolidine
SMILESCCCC(C)(C)/C=C1\CCNC1
InChIInChI=1S/C11H21N/c1-4-6-11(2,3)8-10-5-7-12-9-10/h8,12H,4-7,9H2,1-3H3/b10-8+
InChIKeyBNIGKNNLQCWJAP-CSKARUKUSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
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 (3E)-3-(2,2-dimethylpentylidene)pyrrolidine?
The IUPAC name of (3E)-3-(2,2-dimethylpentylidene)pyrrolidine (CID 146324332) is (3E)-3-(2,2-dimethylpentylidene)pyrrolidine.
What is the SMILES notation for (3E)-3-(2,2-dimethylpentylidene)pyrrolidine?
The canonical SMILES for (3E)-3-(2,2-dimethylpentylidene)pyrrolidine is CCCC(C)(C)/C=C1\CCNC1.
What is the InChIKey of (3E)-3-(2,2-dimethylpentylidene)pyrrolidine?
The InChIKey is BNIGKNNLQCWJAP-CSKARUKUSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-11(2,3)8-10-5-7-12-9-10/h8,12H,4-7,9H2,1-3H3/b10-8+.
What are the key properties of (3E)-3-(2,2-dimethylpentylidene)pyrrolidine?
(3E)-3-(2,2-dimethylpentylidene)pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,2-dimethylpentylidene)pyrrolidine is sourced from PubChem (CID 146324332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).