(7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

C12H12Cl2N2O — CID 141029515

IUPAC(7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1[C@H]2CCCN2CN1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O/c13-8-3-1-4-9(11(8)14)16-7-15-6-2-5-10(15)12(16)17/h1,3-4,10H,2,5-7H2/t10-/m1/s1
InChIKeySHKXIRKLBRQDND-SNVBAGLBSA-N
MW271.15 g/mol
LogP2.76
Rot. Bonds1

About (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one

(7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (PubChem CID 141029515) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.

Molecular Properties

Compound Name(7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
PubChem CID141029515
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
SMILESO=C1[C@H]2CCCN2CN1c1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O/c13-8-3-1-4-9(11(8)14)16-7-15-6-2-5-10(15)12(16)17/h1,3-4,10H,2,5-7H2/t10-/m1/s1
InChIKeySHKXIRKLBRQDND-SNVBAGLBSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-1-(2,3-dichlorophenyl)pyrrolidin-2-one
CID 63787709
2-(2,3-dichlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944472
1-(2-chlorophenyl)-3-(3-hydroxypiperidin-1-yl)pyrrolidin-2-one
CID 111113258
2-(2,3-dichlorophenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923672
1-(2,3-dichlorophenyl)-1,3-diazinane-2,4-dione
CID 79776901
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
1-(2,3-dichlorophenyl)-3-ethylpiperazine-2,5-dione
CID 64962337
(3aR,5S,6S,7aR)-5,6-dibromo-2-(2,3-dichlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98338104
2-(2-chlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944967
[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
CID 117028440
(3aS,6aR)-2-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680624
(3R)-N-cyclopropyl-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40978163

Frequently Asked Questions

What is the IUPAC name of (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The IUPAC name of (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one (CID 141029515) is (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one.
What is the SMILES notation for (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The canonical SMILES for (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is O=C1[C@H]2CCCN2CN1c1cccc(Cl)c1Cl.
What is the InChIKey of (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
The InChIKey is SHKXIRKLBRQDND-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c13-8-3-1-4-9(11(8)14)16-7-15-6-2-5-10(15)12(16)17/h1,3-4,10H,2,5-7H2/t10-/m1/s1.
What are the key properties of (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one?
(7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one has a molecular weight of 271.15 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-2-(2,3-dichlorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one is sourced from PubChem (CID 141029515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).