1H-azepin-4-ylcarbamic acid

C7H8N2O2 — CID 154363510

IUPAC1H-azepin-4-ylcarbamic acid
SMILESO=C(O)NC1=CC=CNC=C1
InChIInChI=1S/C7H8N2O2/c10-7(11)9-6-2-1-4-8-5-3-6/h1-5,8-9H,(H,10,11)
InChIKeyUXJWASOYBZTNAI-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.77
Rot. Bonds1

About 1H-azepin-4-ylcarbamic acid

1H-azepin-4-ylcarbamic acid (PubChem CID 154363510) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1H-azepin-4-ylcarbamic acid.

Molecular Properties

Compound Name1H-azepin-4-ylcarbamic acid
PubChem CID154363510
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1H-azepin-4-ylcarbamic acid
SMILESO=C(O)NC1=CC=CNC=C1
InChIInChI=1S/C7H8N2O2/c10-7(11)9-6-2-1-4-8-5-3-6/h1-5,8-9H,(H,10,11)
InChIKeyUXJWASOYBZTNAI-UHFFFAOYSA-N
XLogP0.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-azepin-4-ylcarbamic acid?
The IUPAC name of 1H-azepin-4-ylcarbamic acid (CID 154363510) is 1H-azepin-4-ylcarbamic acid.
What is the SMILES notation for 1H-azepin-4-ylcarbamic acid?
The canonical SMILES for 1H-azepin-4-ylcarbamic acid is O=C(O)NC1=CC=CNC=C1.
What is the InChIKey of 1H-azepin-4-ylcarbamic acid?
The InChIKey is UXJWASOYBZTNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)9-6-2-1-4-8-5-3-6/h1-5,8-9H,(H,10,11).
What are the key properties of 1H-azepin-4-ylcarbamic acid?
1H-azepin-4-ylcarbamic acid has a molecular weight of 152.15 g/mol, XLogP of 0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepin-4-ylcarbamic acid is sourced from PubChem (CID 154363510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).