(2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine

C9H17N — CID 11194376

IUPAC(2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine
SMILESC=CC[C@]1(C)CN[C@H](C)C1
InChIInChI=1S/C9H17N/c1-4-5-9(3)6-8(2)10-7-9/h4,8,10H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyFENPMKZVVSQHDD-BDAKNGLRSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds2

About (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine

(2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine (PubChem CID 11194376) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine
PubChem CID11194376
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine
SMILESC=CC[C@]1(C)CN[C@H](C)C1
InChIInChI=1S/C9H17N/c1-4-5-9(3)6-8(2)10-7-9/h4,8,10H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyFENPMKZVVSQHDD-BDAKNGLRSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Diallylpyrrolidine
CID 573606
3,3-Dimethyl-2-(prop-2-en-1-yl)piperidine
CID 86811575
2-Methyl-4,4-bis(prop-2-enyl)pyrrolidine
CID 73219360
4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine
CID 166059860
(2S)-2-[(2R)-but-3-en-2-yl]pyrrolidine
CID 639456
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888
trans-2,5-Bis-(1,1-dimethylallyl)-pyrrolidine
CID 11127485
Pyrrolidine, 2,4-dimethyl-4-(2-propenyl)-
CID 11332783
2,3-Bis(1-methylallyl) pyrrolidine
CID 21157860
(2S)-2,4-dimethyl-4-prop-2-enylpyrrolidine
CID 55299437
2-(1-Methylallyl)pyrrolidine
CID 73880787
N-(2,2-dimethylpent-4-enyl)cyclohexanamine
CID 86033794

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine?
The IUPAC name of (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine (CID 11194376) is (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine.
What is the SMILES notation for (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine?
The canonical SMILES for (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine is C=CC[C@]1(C)CN[C@H](C)C1.
What is the InChIKey of (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine?
The InChIKey is FENPMKZVVSQHDD-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-9(3)6-8(2)10-7-9/h4,8,10H,1,5-7H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine?
(2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4-dimethyl-4-prop-2-enylpyrrolidine is sourced from PubChem (CID 11194376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).