1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane

C18H25N — CID 158001195

IUPAC1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane
SMILESC.CC(C)c1ccc(-c2ccccc2)n1CC1CC1
InChIInChI=1S/C17H21N.CH4/c1-13(2)16-10-11-17(15-6-4-3-5-7-15)18(16)12-14-8-9-14;/h3-7,10-11,13-14H,8-9,12H2,1-2H3;1H4
InChIKeyFDTIBSXJJRDERW-UHFFFAOYSA-N
MW255.41 g/mol
LogP5.32
Rot. Bonds4

About 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane

1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane (PubChem CID 158001195) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane
PubChem CID158001195
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane
SMILESC.CC(C)c1ccc(-c2ccccc2)n1CC1CC1
InChIInChI=1S/C17H21N.CH4/c1-13(2)16-10-11-17(15-6-4-3-5-7-15)18(16)12-14-8-9-14;/h3-7,10-11,13-14H,8-9,12H2,1-2H3;1H4
InChIKeyFDTIBSXJJRDERW-UHFFFAOYSA-N
XLogP5.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.41
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane?
The IUPAC name of 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane (CID 158001195) is 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane?
The canonical SMILES for 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane is C.CC(C)c1ccc(-c2ccccc2)n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane?
The InChIKey is FDTIBSXJJRDERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.CH4/c1-13(2)16-10-11-17(15-6-4-3-5-7-15)18(16)12-14-8-9-14;/h3-7,10-11,13-14H,8-9,12H2,1-2H3;1H4.
What are the key properties of 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane?
1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane has a molecular weight of 255.41 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane is sourced from PubChem (CID 158001195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).