ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

C10H18N2O3 — CID 172601336

IUPACethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1CN=C2CCCN2C1.CCOC(=O)O
InChIInChI=1S/C7H12N2.C3H6O3/c1-3-7-8-4-2-6-9(7)5-1;1-2-6-3(4)5/h1-6H2;2H2,1H3,(H,4,5)
InChIKeyYWGUQHSZDKHFEA-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.59
Rot. Bonds1

About ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine

ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (PubChem CID 172601336) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Nameethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
PubChem CID172601336
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
SMILESC1CN=C2CCCN2C1.CCOC(=O)O
InChIInChI=1S/C7H12N2.C3H6O3/c1-3-7-8-4-2-6-9(7)5-1;1-2-6-3(4)5/h1-6H2;2H2,1H3,(H,4,5)
InChIKeyYWGUQHSZDKHFEA-UHFFFAOYSA-N
XLogP1.59
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine (CID 172601336) is ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is C1CN=C2CCCN2C1.CCOC(=O)O.
What is the InChIKey of ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
The InChIKey is YWGUQHSZDKHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C3H6O3/c1-3-7-8-4-2-6-9(7)5-1;1-2-6-3(4)5/h1-6H2;2H2,1H3,(H,4,5).
What are the key properties of ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine?
ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine has a molecular weight of 214.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hydrogen carbonate;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 172601336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).