(2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone

C12H14N2O — CID 163953336

IUPAC(2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCCc1[nH]ccc1C(=O)c1cc[nH]c1C
InChIInChI=1S/C12H14N2O/c1-3-11-10(5-7-14-11)12(15)9-4-6-13-8(9)2/h4-7,13-14H,3H2,1-2H3
InChIKeySBFSPBFSHLDQDO-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.44
Rot. Bonds3

About (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone

(2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 163953336) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
PubChem CID163953336
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCCc1[nH]ccc1C(=O)c1cc[nH]c1C
InChIInChI=1S/C12H14N2O/c1-3-11-10(5-7-14-11)12(15)9-4-6-13-8(9)2/h4-7,13-14H,3H2,1-2H3
InChIKeySBFSPBFSHLDQDO-UHFFFAOYSA-N
XLogP2.44
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
CID 15883182
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
2-methylpropyl 2-methyl-1H-pyrrole-3-carboxylate
CID 102035979
N-(cyanomethyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 130645768
N-[(2R)-2-hydroxypropyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 130678662
(2-ethyl-1H-pyrrol-3-yl)methanol
CID 174935914
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-1H-pyrrole-3-carboxamide
CID 111831410
2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110695748
N-[2-[ethyl-(2-methyl-1H-pyrrole-3-carbonyl)amino]ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 99828673
2-(3-benzoyl-1H-pyrrol-2-yl)acetic acid
CID 86174561
2-methyl-N-[(2-methylphenyl)methyl]-1H-pyrrole-3-carboxamide
CID 110695685
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone (CID 163953336) is (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone is CCc1[nH]ccc1C(=O)c1cc[nH]c1C.
What is the InChIKey of (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is SBFSPBFSHLDQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-11-10(5-7-14-11)12(15)9-4-6-13-8(9)2/h4-7,13-14H,3H2,1-2H3.
What are the key properties of (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
(2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 202.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 163953336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).