Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine

C₁₃H₂₆N₂O₂ — CID 170316861

About Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine

Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine (PubChem CID 170316861) has the molecular formula C₁₃H₂₆N₂O₂ and a molecular weight of 242.36 g/mol. Its IUPAC name is cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine.

Molecular Properties

• Compound Name: Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine
• PubChem CID: 170316861
• Molecular Formula: C₁₃H₂₆N₂O₂
• Molecular Weight: 242.36 g/mol
• Exact Mass: 242.20
• IUPAC Name: cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine
• SMILES: CCN(CC)CC.O=C(O)NCC1=CCCC1
• InChI: InChI=1S/C7H11NO2.C6H15N/c9-7(10)8-5-6-3-1-2-4-6;1-4-7(5-2)6-3/h3,8H,1-2,4-5H2,(H,9,10);4-6H2,1-3H3
• InChIKey: IEWJXNVAECTPCC-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	242.36
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine?

The IUPAC name of Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine (CID 170316861) is cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine.

What is the SMILES notation for Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine?

The canonical SMILES for Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine is CCN(CC)CC.O=C(O)NCC1=CCCC1.

What is the InChIKey of Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine?

The InChIKey is IEWJXNVAECTPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C6H15N/c9-7(10)8-5-6-3-1-2-4-6;1-4-7(5-2)6-3/h3,8H,1-2,4-5H2,(H,9,10);4-6H2,1-3H3.

What are the key properties of Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine?

Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine has a molecular weight of 242.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine is sourced from PubChem (CID 170316861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170316861 — identifiers, structure, computed properties (public domain)

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