(7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole

C7H12N2 — CID 59794258

IUPAC(7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole
SMILESCC1=NC[C@@H]2CCCN12
InChIInChI=1S/C7H12N2/c1-6-8-5-7-3-2-4-9(6)7/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeyAPFVBVQEVWBGCV-ZETCQYMHSA-N
MW124.19 g/mol
LogP0.88
Rot. Bonds

About (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole

(7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole (PubChem CID 59794258) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name(7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole
PubChem CID59794258
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole
SMILESCC1=NC[C@@H]2CCCN12
InChIInChI=1S/C7H12N2/c1-6-8-5-7-3-2-4-9(6)7/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeyAPFVBVQEVWBGCV-ZETCQYMHSA-N
XLogP0.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridine
CID 143809339
ethane;1-methyl-4,4a,5,6,7,8-hexahydro-3H-pyrido[1,2-c]pyrimidine
CID 142067445
1-hydroxy-4-methyl-6a,7,8,9-tetrahydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-2,11-dione
CID 135456817
(8aS)-5-methyl-2,3,8,8a-tetrahydro-1H-indolizin-7-one
CID 130703394
7-methyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 51031307
(8aS)-N-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
CID 138050008
(8aR)-N-[1-(1,2-thiazol-5-yl)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-3-amine
CID 166265063
2,4,6-tris(2-methoxypyrrolidin-1-yl)-1,3,5-triazine
CID 19069528
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(3aS)-7-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 82404880
(5E)-5-butylidene-2,3,6,7,8,8a-hexahydro-1H-indolizine
CID 129147700

Frequently Asked Questions

What is the IUPAC name of (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole?
The IUPAC name of (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole (CID 59794258) is (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole is CC1=NC[C@@H]2CCCN12.
What is the InChIKey of (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole?
The InChIKey is APFVBVQEVWBGCV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-8-5-7-3-2-4-9(6)7/h7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole?
(7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole has a molecular weight of 124.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-3-methyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 59794258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).