2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine

C12H23N — CID 134902087

IUPAC2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine
SMILESCCCN1CCCC1/C=C(/C)CC
InChIInChI=1S/C12H23N/c1-4-8-13-9-6-7-12(13)10-11(3)5-2/h10,12H,4-9H2,1-3H3/b11-10-
InChIKeyRSMCMBMLNLCZOZ-KHPPLWFESA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds4

About 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine

2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine (PubChem CID 134902087) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine.

Molecular Properties

Compound Name2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine
PubChem CID134902087
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine
SMILESCCCN1CCCC1/C=C(/C)CC
InChIInChI=1S/C12H23N/c1-4-8-13-9-6-7-12(13)10-11(3)5-2/h10,12H,4-9H2,1-3H3/b11-10-
InChIKeyRSMCMBMLNLCZOZ-KHPPLWFESA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
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 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine?
The IUPAC name of 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine (CID 134902087) is 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine.
What is the SMILES notation for 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine?
The canonical SMILES for 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine is CCCN1CCCC1/C=C(/C)CC.
What is the InChIKey of 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine?
The InChIKey is RSMCMBMLNLCZOZ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H23N/c1-4-8-13-9-6-7-12(13)10-11(3)5-2/h10,12H,4-9H2,1-3H3/b11-10-.
What are the key properties of 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine?
2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-methylbut-1-enyl]-1-propylpyrrolidine is sourced from PubChem (CID 134902087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).