1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole

C19H23N — CID 156528698

IUPAC1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole
SMILESCC(C)c1ccc(/C=C/c2ccccc2)n1CC1CC1
InChIInChI=1S/C19H23N/c1-15(2)19-13-12-18(20(19)14-17-8-9-17)11-10-16-6-4-3-5-7-16/h3-7,10-13,15,17H,8-9,14H2,1-2H3/b11-10+
InChIKeyFAIYVOFIXJYEJW-ZHACJKMWSA-N
MW265.40 g/mol
LogP5.19
Rot. Bonds5

About 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole

1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole (PubChem CID 156528698) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole
PubChem CID156528698
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole
SMILESCC(C)c1ccc(/C=C/c2ccccc2)n1CC1CC1
InChIInChI=1S/C19H23N/c1-15(2)19-13-12-18(20(19)14-17-8-9-17)11-10-16-6-4-3-5-7-16/h3-7,10-13,15,17H,8-9,14H2,1-2H3/b11-10+
InChIKeyFAIYVOFIXJYEJW-ZHACJKMWSA-N
XLogP5.19
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)-2-phenyl-5-propan-2-ylpyrrole;methane
CID 158001195
1-(cyclopropylmethyl)-6-propan-2-ylpyridin-2-one
CID 156528931
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
3,3-dicyclopropylbut-1-enylbenzene
CID 173296746
1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494159
3-cyclopropyl-1-ethyl-5-[(E)-2-phenylethenyl]pyrazole
CID 135136599
1-(cyclopropylmethyl)-2-methyl-5-phenylpyrrole
CID 130382198
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-methyl-5-(2-phenylethenyl)pyrazole
CID 71401987
CID 70569152
CID 70569152
CID 70567885
CID 70567885
2-oxo-1-(piperidin-4-ylmethyl)-6-propan-2-ylpyridine-3-carbonitrile
CID 82147177

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole?
The IUPAC name of 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole (CID 156528698) is 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole is CC(C)c1ccc(/C=C/c2ccccc2)n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole?
The InChIKey is FAIYVOFIXJYEJW-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H23N/c1-15(2)19-13-12-18(20(19)14-17-8-9-17)11-10-16-6-4-3-5-7-16/h3-7,10-13,15,17H,8-9,14H2,1-2H3/b11-10+.
What are the key properties of 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole?
1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole has a molecular weight of 265.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[(E)-2-phenylethenyl]-5-propan-2-ylpyrrole is sourced from PubChem (CID 156528698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).