2H-pyran-3-ylcarbamic acid

C6H7NO3 — CID 67378136

IUPAC2H-pyran-3-ylcarbamic acid
SMILESO=C(O)NC1=CC=COC1
InChIInChI=1S/C6H7NO3/c8-6(9)7-5-2-1-3-10-4-5/h1-3,7H,4H2,(H,8,9)
InChIKeyXDNOUGUXJHJQAA-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.68
Rot. Bonds1

About 2H-pyran-3-ylcarbamic acid

2H-pyran-3-ylcarbamic acid (PubChem CID 67378136) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2H-pyran-3-ylcarbamic acid.

Molecular Properties

Compound Name2H-pyran-3-ylcarbamic acid
PubChem CID67378136
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name2H-pyran-3-ylcarbamic acid
SMILESO=C(O)NC1=CC=COC1
InChIInChI=1S/C6H7NO3/c8-6(9)7-5-2-1-3-10-4-5/h1-3,7H,4H2,(H,8,9)
InChIKeyXDNOUGUXJHJQAA-UHFFFAOYSA-N
XLogP0.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2H-pyran-3-ylamino)acetic acid
CID 150531287
2-oxo-2-(2H-pyran-3-yl)acetic acid
CID 69128844
N-phenyl-2H-pyran-3-carboxamide
CID 21499737
3-amino-3-(2H-pyran-3-yl)propanoic acid;hydrochloride
CID 159997836
3-ethenyl-2H-pyran
CID 153105375
3-chloropropyl 2H-pyran-3-carboxylate
CID 70491899
phenyl(2H-pyran-3-yl)methanimine
CID 123969693
1,3-thiazol-5-ylcarbamic acid
CID 69255829
N-(5-amino-5-methylcyclohexa-1,3-dien-1-yl)acetamide
CID 70343405
4-(2H-pyran-3-yl)pyridine
CID 174591208
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl bromide
CID 115193287
2-methyl-N-phenyl-3H-furan-2-carboxamide
CID 21116633

Frequently Asked Questions

What is the IUPAC name of 2H-pyran-3-ylcarbamic acid?
The IUPAC name of 2H-pyran-3-ylcarbamic acid (CID 67378136) is 2H-pyran-3-ylcarbamic acid.
What is the SMILES notation for 2H-pyran-3-ylcarbamic acid?
The canonical SMILES for 2H-pyran-3-ylcarbamic acid is O=C(O)NC1=CC=COC1.
What is the InChIKey of 2H-pyran-3-ylcarbamic acid?
The InChIKey is XDNOUGUXJHJQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-6(9)7-5-2-1-3-10-4-5/h1-3,7H,4H2,(H,8,9).
What are the key properties of 2H-pyran-3-ylcarbamic acid?
2H-pyran-3-ylcarbamic acid has a molecular weight of 141.13 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-3-ylcarbamic acid is sourced from PubChem (CID 67378136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).