[1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate

C10H9NO4 — CID 67751033

IUPAC[1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1cccn1Cc1ccco1
InChIInChI=1S/C10H9NO4/c12-10(13)15-9-4-1-5-11(9)7-8-3-2-6-14-8/h1-6H,7H2,(H,12,13)
InChIKeyZYEQDWZCOJSTGV-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.19
Rot. Bonds3

About [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate

[1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate (PubChem CID 67751033) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate
PubChem CID67751033
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name[1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate
SMILESO=C(O)Oc1cccn1Cc1ccco1
InChIInChI=1S/C10H9NO4/c12-10(13)15-9-4-1-5-11(9)7-8-3-2-6-14-8/h1-6H,7H2,(H,12,13)
InChIKeyZYEQDWZCOJSTGV-UHFFFAOYSA-N
XLogP2.19
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trichloro-1-[1-(furan-2-ylmethyl)pyrrol-2-yl]ethanamine
CID 10968377
5-acetyl-1-(furan-2-ylmethyl)pyrimidine-2,4-dione
CID 56683947
3-(furan-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009587
3-(furan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82790758
1-(furan-2-ylmethyl)-5-methylimidazole
CID 116798912
N-(furan-2-ylmethyl)-1-[(4-phenylphenyl)methyl]pyrrole-2-carboxamide
CID 177375501
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031
4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
CID 117011999
dimethyl 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 758247
5-bromo-1-(furan-2-ylmethyl)pyridin-2-one
CID 60773320
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
2-[[5-amino-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64572197

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate?
The IUPAC name of [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate (CID 67751033) is [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate.
What is the SMILES notation for [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate?
The canonical SMILES for [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate is O=C(O)Oc1cccn1Cc1ccco1.
What is the InChIKey of [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate?
The InChIKey is ZYEQDWZCOJSTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-10(13)15-9-4-1-5-11(9)7-8-3-2-6-14-8/h1-6H,7H2,(H,12,13).
What are the key properties of [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate?
[1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate has a molecular weight of 207.19 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)pyrrol-2-yl] hydrogen carbonate is sourced from PubChem (CID 67751033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).