carbonic acid;1-propan-2-ylimidazole

C7H12N2O3 — CID 175084414

IUPACcarbonic acid;1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1.O=C(O)O
InChIInChI=1S/C6H10N2.CH2O3/c1-6(2)8-4-3-7-5-8;2-1(3)4/h3-6H,1-2H3;(H2,2,3,4)
InChIKeyISYWBFHTOLQZSU-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.69
Rot. Bonds1

About carbonic acid;1-propan-2-ylimidazole

carbonic acid;1-propan-2-ylimidazole (PubChem CID 175084414) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is carbonic acid;1-propan-2-ylimidazole.

Molecular Properties

Compound Namecarbonic acid;1-propan-2-ylimidazole
PubChem CID175084414
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Namecarbonic acid;1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1.O=C(O)O
InChIInChI=1S/C6H10N2.CH2O3/c1-6(2)8-4-3-7-5-8;2-1(3)4/h3-6H,1-2H3;(H2,2,3,4)
InChIKeyISYWBFHTOLQZSU-UHFFFAOYSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-imidazol-1-yl-3-methoxypropanoic acid
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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-propan-2-ylimidazole?
The IUPAC name of carbonic acid;1-propan-2-ylimidazole (CID 175084414) is carbonic acid;1-propan-2-ylimidazole.
What is the SMILES notation for carbonic acid;1-propan-2-ylimidazole?
The canonical SMILES for carbonic acid;1-propan-2-ylimidazole is CC(C)n1ccnc1.O=C(O)O.
What is the InChIKey of carbonic acid;1-propan-2-ylimidazole?
The InChIKey is ISYWBFHTOLQZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.CH2O3/c1-6(2)8-4-3-7-5-8;2-1(3)4/h3-6H,1-2H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-propan-2-ylimidazole?
carbonic acid;1-propan-2-ylimidazole has a molecular weight of 172.18 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-propan-2-ylimidazole is sourced from PubChem (CID 175084414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).