1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine

C16H27N — CID 58193773

IUPAC1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine
SMILESC=CCCN1CCCC1(CC(=C)C)CC(=C)C
InChIInChI=1S/C16H27N/c1-6-7-10-17-11-8-9-16(17,12-14(2)3)13-15(4)5/h6H,1-2,4,7-13H2,3,5H3
InChIKeyALTNBFPDKAEKOP-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.33
Rot. Bonds7

About 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine

1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine (PubChem CID 58193773) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine
PubChem CID58193773
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine
SMILESC=CCCN1CCCC1(CC(=C)C)CC(=C)C
InChIInChI=1S/C16H27N/c1-6-7-10-17-11-8-9-16(17,12-14(2)3)13-15(4)5/h6H,1-2,4,7-13H2,3,5H3
InChIKeyALTNBFPDKAEKOP-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.33
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 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine?
The IUPAC name of 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine (CID 58193773) is 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine.
What is the SMILES notation for 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine?
The canonical SMILES for 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine is C=CCCN1CCCC1(CC(=C)C)CC(=C)C.
What is the InChIKey of 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine?
The InChIKey is ALTNBFPDKAEKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-7-10-17-11-8-9-16(17,12-14(2)3)13-15(4)5/h6H,1-2,4,7-13H2,3,5H3.
What are the key properties of 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine?
1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine has a molecular weight of 233.40 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2,2-bis(2-methylprop-2-enyl)pyrrolidine is sourced from PubChem (CID 58193773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).