ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene

C16H27N — CID 145031830

IUPACethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
SMILESC=CC.CC.Cc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H15N.C3H6.C2H6/c1-10-4-6-11(7-5-10)12-8-2-3-9-12;1-3-2;1-2/h4-7H,2-3,8-9H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyMUPDNFYXMBTQQG-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.81
Rot. Bonds1

About ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene

ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene (PubChem CID 145031830) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
PubChem CID145031830
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Nameethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
SMILESC=CC.CC.Cc1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H15N.C3H6.C2H6/c1-10-4-6-11(7-5-10)12-8-2-3-9-12;1-3-2;1-2/h4-7H,2-3,8-9H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyMUPDNFYXMBTQQG-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene?
The IUPAC name of ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene (CID 145031830) is ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene.
What is the SMILES notation for ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene?
The canonical SMILES for ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene is C=CC.CC.Cc1ccc(N2CCCC2)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene?
The InChIKey is MUPDNFYXMBTQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C3H6.C2H6/c1-10-4-6-11(7-5-10)12-8-2-3-9-12;1-3-2;1-2/h4-7H,2-3,8-9H2,1H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene?
ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene has a molecular weight of 233.40 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene is sourced from PubChem (CID 145031830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).