(3S)-3-methyl-1-prop-2-enylpyrrolidine

C8H15N — CID 142074687

IUPAC(3S)-3-methyl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC[C@H](C)C1
InChIInChI=1S/C8H15N/c1-3-5-9-6-4-8(2)7-9/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeySBNJPYGNPCRKGS-QMMMGPOBSA-N
MW125.21 g/mol
LogP1.51
Rot. Bonds2

About (3S)-3-methyl-1-prop-2-enylpyrrolidine

(3S)-3-methyl-1-prop-2-enylpyrrolidine (PubChem CID 142074687) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (3S)-3-methyl-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-methyl-1-prop-2-enylpyrrolidine
PubChem CID142074687
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(3S)-3-methyl-1-prop-2-enylpyrrolidine
SMILESC=CCN1CC[C@H](C)C1
InChIInChI=1S/C8H15N/c1-3-5-9-6-4-8(2)7-9/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeySBNJPYGNPCRKGS-QMMMGPOBSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-3-chloroprop-2-enyl]-3-methylpyrrolidine
CID 131232303
1-(3-methylpyrrolidin-1-yl)but-3-en-2-one
CID 167082770
1,3,4-tris(prop-2-enyl)piperidine
CID 118117546
(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526
CID 23403793
CID 23403793
ethane;1-ethyl-3-methylpyrrolidine
CID 90936593
1-but-3-enyl-4-methylpiperidine
CID 88972276
4-methyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 130708421
1-(cyclopropylmethyl)-3-methylpyrrolidine
CID 66698418
1-[(2-ethenylphenyl)methyl]-3-methylpyrrolidine
CID 129050430
4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol
CID 131131773
3-tert-butyl-1-prop-2-enylpiperidine
CID 127001155

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-prop-2-enylpyrrolidine?
The IUPAC name of (3S)-3-methyl-1-prop-2-enylpyrrolidine (CID 142074687) is (3S)-3-methyl-1-prop-2-enylpyrrolidine.
What is the SMILES notation for (3S)-3-methyl-1-prop-2-enylpyrrolidine?
The canonical SMILES for (3S)-3-methyl-1-prop-2-enylpyrrolidine is C=CCN1CC[C@H](C)C1.
What is the InChIKey of (3S)-3-methyl-1-prop-2-enylpyrrolidine?
The InChIKey is SBNJPYGNPCRKGS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-9-6-4-8(2)7-9/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (3S)-3-methyl-1-prop-2-enylpyrrolidine?
(3S)-3-methyl-1-prop-2-enylpyrrolidine has a molecular weight of 125.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 142074687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).