(5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone

C14H14N2O — CID 123536363

IUPAC(5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone
SMILESC=C(C)c1c(C(=O)c2ccccc2)c[nH]c1N
InChIInChI=1S/C14H14N2O/c1-9(2)12-11(8-16-14(12)15)13(17)10-6-4-3-5-7-10/h3-8,16H,1,15H2,2H3
InChIKeyKMWRXEZSBUQWHY-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.86
Rot. Bonds3

About (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone

(5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone (PubChem CID 123536363) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone
PubChem CID123536363
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name(5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone
SMILESC=C(C)c1c(C(=O)c2ccccc2)c[nH]c1N
InChIInChI=1S/C14H14N2O/c1-9(2)12-11(8-16-14(12)15)13(17)10-6-4-3-5-7-10/h3-8,16H,1,15H2,2H3
InChIKeyKMWRXEZSBUQWHY-UHFFFAOYSA-N
XLogP2.86
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
CID 21453648
(4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
CID 3042145
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
acetic acid;diphenylmethanone;hydrate
CID 161284686
N-acetyl-N-(2-benzoylphenyl)acetamide
CID 23206661
1-(2-acetyl-3-benzoylphenyl)ethanone
CID 19898396
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
CID 15883182
diphenylmethanone;ethane
CID 158014879
2-benzoylbenzoic acid;hydrofluoride
CID 70485904

Frequently Asked Questions

What is the IUPAC name of (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone?
The IUPAC name of (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone (CID 123536363) is (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone is C=C(C)c1c(C(=O)c2ccccc2)c[nH]c1N.
What is the InChIKey of (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone?
The InChIKey is KMWRXEZSBUQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9(2)12-11(8-16-14(12)15)13(17)10-6-4-3-5-7-10/h3-8,16H,1,15H2,2H3.
What are the key properties of (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone?
(5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone has a molecular weight of 226.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 123536363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).