1-(3-prop-1-en-2-ylphenyl)pyrrole

C13H13N — CID 174651614

IUPAC1-(3-prop-1-en-2-ylphenyl)pyrrole
SMILESC=C(C)c1cccc(-n2cccc2)c1
InChIInChI=1S/C13H13N/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14/h3-10H,1H2,2H3
InChIKeyNWHDDAQVYKHUCB-UHFFFAOYSA-N
MW183.25 g/mol
LogP3.51
Rot. Bonds2

About 1-(3-prop-1-en-2-ylphenyl)pyrrole

1-(3-prop-1-en-2-ylphenyl)pyrrole (PubChem CID 174651614) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-prop-1-en-2-ylphenyl)pyrrole.

Molecular Properties

Compound Name1-(3-prop-1-en-2-ylphenyl)pyrrole
PubChem CID174651614
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name1-(3-prop-1-en-2-ylphenyl)pyrrole
SMILESC=C(C)c1cccc(-n2cccc2)c1
InChIInChI=1S/C13H13N/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14/h3-10H,1H2,2H3
InChIKeyNWHDDAQVYKHUCB-UHFFFAOYSA-N
XLogP3.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-pyrrol-1-ylphenyl)pyrrole
CID 91674731
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
1-methyl-4-(3-prop-1-en-2-ylphenyl)tetrazol-5-one
CID 126576417
CID 23599187
CID 23599187
(2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid
CID 54991443
N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 35154530
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
1-prop-1-en-2-yl-3-propylbenzene
CID 22486655
N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide
CID 146087449
(3,5-dimethylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 110309886
(2R)-3-methyl-2-[(3-pyrrol-1-ylbenzoyl)amino]butanoic acid
CID 79009327
(E)-1-(3-pyrrol-1-ylphenyl)hept-2-en-1-one
CID 19559384

Frequently Asked Questions

What is the IUPAC name of 1-(3-prop-1-en-2-ylphenyl)pyrrole?
The IUPAC name of 1-(3-prop-1-en-2-ylphenyl)pyrrole (CID 174651614) is 1-(3-prop-1-en-2-ylphenyl)pyrrole.
What is the SMILES notation for 1-(3-prop-1-en-2-ylphenyl)pyrrole?
The canonical SMILES for 1-(3-prop-1-en-2-ylphenyl)pyrrole is C=C(C)c1cccc(-n2cccc2)c1.
What is the InChIKey of 1-(3-prop-1-en-2-ylphenyl)pyrrole?
The InChIKey is NWHDDAQVYKHUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-14/h3-10H,1H2,2H3.
What are the key properties of 1-(3-prop-1-en-2-ylphenyl)pyrrole?
1-(3-prop-1-en-2-ylphenyl)pyrrole has a molecular weight of 183.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-prop-1-en-2-ylphenyl)pyrrole is sourced from PubChem (CID 174651614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).