(4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine

C9H17N — CID 59936388

IUPAC(4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine
SMILESCC=CC1C[C@@H](C)CN1C
InChIInChI=1S/C9H17N/c1-4-5-9-6-8(2)7-10(9)3/h4-5,8-9H,6-7H2,1-3H3/t8-,9?/m1/s1
InChIKeySERJEUKZKLICEU-VEDVMXKPSA-N
MW139.24 g/mol
LogP1.90
Rot. Bonds1

About (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine

(4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine (PubChem CID 59936388) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine.

Molecular Properties

Compound Name(4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine
PubChem CID59936388
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine
SMILESCC=CC1C[C@@H](C)CN1C
InChIInChI=1S/C9H17N/c1-4-5-9-6-8(2)7-10(9)3/h4-5,8-9H,6-7H2,1-3H3/t8-,9?/m1/s1
InChIKeySERJEUKZKLICEU-VEDVMXKPSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.90
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 (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine?
The IUPAC name of (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine (CID 59936388) is (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine.
What is the SMILES notation for (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine?
The canonical SMILES for (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine is CC=CC1C[C@@H](C)CN1C.
What is the InChIKey of (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine?
The InChIKey is SERJEUKZKLICEU-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H17N/c1-4-5-9-6-8(2)7-10(9)3/h4-5,8-9H,6-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine?
(4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,4-dimethyl-2-prop-1-enylpyrrolidine is sourced from PubChem (CID 59936388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).