(1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone

C12H12N2O2 — CID 19973184

IUPAC(1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccn2N)cc1
InChIInChI=1S/C12H12N2O2/c1-16-10-6-4-9(5-7-10)12(15)11-3-2-8-14(11)13/h2-8H,13H2,1H3
InChIKeyKPRWXPXGVZCHRO-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.44
Rot. Bonds3

About (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone

(1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 19973184) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone
PubChem CID19973184
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cccn2N)cc1
InChIInChI=1S/C12H12N2O2/c1-16-10-6-4-9(5-7-10)12(15)11-3-2-8-14(11)13/h2-8H,13H2,1H3
InChIKeyKPRWXPXGVZCHRO-UHFFFAOYSA-N
XLogP1.44
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chloroethyl)pyrrol-2-yl]-(4-methoxyphenyl)methanone
CID 19914076
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;silver
CID 140722019
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(4-fluoro-1,5-dimethylpyrrol-2-yl)-(4-methoxyphenyl)methanone
CID 67575174
methyl 2-amino-3-(4-methoxybenzoyl)benzoate
CID 18694348
(4-methoxyphenyl)-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]methanone
CID 20740497
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604

Frequently Asked Questions

What is the IUPAC name of (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone (CID 19973184) is (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cccn2N)cc1.
What is the InChIKey of (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is KPRWXPXGVZCHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-10-6-4-9(5-7-10)12(15)11-3-2-8-14(11)13/h2-8H,13H2,1H3.
What are the key properties of (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone?
(1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 216.24 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminopyrrol-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 19973184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).