(7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid

C10H13N3O2 — CID 97297659

IUPAC(7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]2Cc3nc[nH]c3CN2C1
InChIInChI=1S/C10H13N3O2/c14-10(15)6-1-7-2-8-9(12-5-11-8)4-13(7)3-6/h5-7H,1-4H2,(H,11,12)(H,14,15)/t6-,7+/m1/s1
InChIKeyDFVRVIYMMAJOBV-RQJHMYQMSA-N
MW207.23 g/mol
LogP0.24
Rot. Bonds1

About (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid

(7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid (PubChem CID 97297659) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid.

Molecular Properties

Compound Name(7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid
PubChem CID97297659
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]2Cc3nc[nH]c3CN2C1
InChIInChI=1S/C10H13N3O2/c14-10(15)6-1-7-2-8-9(12-5-11-8)4-13(7)3-6/h5-7H,1-4H2,(H,11,12)(H,14,15)/t6-,7+/m1/s1
InChIKeyDFVRVIYMMAJOBV-RQJHMYQMSA-N
XLogP0.24
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid?
The IUPAC name of (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid (CID 97297659) is (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid.
What is the SMILES notation for (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid?
The canonical SMILES for (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid is O=C(O)[C@@H]1C[C@H]2Cc3nc[nH]c3CN2C1.
What is the InChIKey of (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid?
The InChIKey is DFVRVIYMMAJOBV-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(15)6-1-7-2-8-9(12-5-11-8)4-13(7)3-6/h5-7H,1-4H2,(H,11,12)(H,14,15)/t6-,7+/m1/s1.
What are the key properties of (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid?
(7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-4,6,7,8,8a,9-hexahydro-3H-imidazo[4,5-f]indolizine-7-carboxylic acid is sourced from PubChem (CID 97297659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).