1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine

C16H23N — CID 156851277

IUPAC1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1cc(C2CC2)cc(N2CCCC2)c1
InChIInChI=1S/C16H23N/c1-12(2)14-9-15(13-5-6-13)11-16(10-14)17-7-3-4-8-17/h9-13H,3-8H2,1-2H3
InChIKeyDQXLLLJBNPNFCF-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.29
Rot. Bonds3

About 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine

1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine (PubChem CID 156851277) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine
PubChem CID156851277
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1cc(C2CC2)cc(N2CCCC2)c1
InChIInChI=1S/C16H23N/c1-12(2)14-9-15(13-5-6-13)11-16(10-14)17-7-3-4-8-17/h9-13H,3-8H2,1-2H3
InChIKeyDQXLLLJBNPNFCF-UHFFFAOYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine (CID 156851277) is 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine is CC(C)c1cc(C2CC2)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine?
The InChIKey is DQXLLLJBNPNFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12(2)14-9-15(13-5-6-13)11-16(10-14)17-7-3-4-8-17/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine?
1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine has a molecular weight of 229.37 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-5-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 156851277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).