cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone

C15H18N2O2S — CID 97407216

IUPACcyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone
SMILESO=C(c1cc2c(s1)CCN2C(=O)C1CC1)N1CCCC1
InChIInChI=1S/C15H18N2O2S/c18-14(10-3-4-10)17-8-5-12-11(17)9-13(20-12)15(19)16-6-1-2-7-16/h9-10H,1-8H2
InChIKeyDSBOPMXPRYZMBS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.28
Rot. Bonds2

About cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone

cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone (PubChem CID 97407216) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone
PubChem CID97407216
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namecyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone
SMILESO=C(c1cc2c(s1)CCN2C(=O)C1CC1)N1CCCC1
InChIInChI=1S/C15H18N2O2S/c18-14(10-3-4-10)17-8-5-12-11(17)9-13(20-12)15(19)16-6-1-2-7-16/h9-10H,1-8H2
InChIKeyDSBOPMXPRYZMBS-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone
CID 97407214
cyclopropyl-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743148
2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone
CID 97407178
pyrrolidin-1-yl-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 55527772
piperidin-1-yl-[2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]methanone
CID 71836586
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
4-(cyclopropanecarbonyl)-N-[(3-methoxyphenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407211
4-(cyclopropanecarbonyl)-N-(2-pyridin-2-ylethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442346
[2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]-piperidin-1-ylmethanone
CID 71836587
[(5R)-2-(4-methylpiperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-5-yl]-pyrrolidin-1-ylmethanone
CID 95108666
(4-aminopiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43556243
N-(4-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187917

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone?
The IUPAC name of cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone (CID 97407216) is cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone?
The canonical SMILES for cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone is O=C(c1cc2c(s1)CCN2C(=O)C1CC1)N1CCCC1.
What is the InChIKey of cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone?
The InChIKey is DSBOPMXPRYZMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-14(10-3-4-10)17-8-5-12-11(17)9-13(20-12)15(19)16-6-1-2-7-16/h9-10H,1-8H2.
What are the key properties of cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone?
cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone has a molecular weight of 290.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-(pyrrolidine-1-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]methanone is sourced from PubChem (CID 97407216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).