Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid

Name: Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₁₈N₂O₂ — CID 159033782

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACcyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid

SMILESC1CC1.O=C(O)NN1CCc2ccccc2C1

InChIInChI=1S/C10H12N2O2.C3H6/c13-10(14)11-12-6-5-8-3-1-2-4-9(8)7-12;1-2-3-1/h1-4,11H,5-7H2,(H,13,14);1-3H2

InChIKeyJVEZDYJHRAYIRQ-UHFFFAOYSA-N

MW234.30 g/mol

LogP2.40

Rot. Bonds1

About Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid

Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid (PubChem CID 159033782) has the molecular formula C₁₃H₁₈N₂O₂ and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid.

Molecular Properties

Compound Name	Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid
PubChem CID	159033782
Molecular Formula	C₁₃H₁₈N₂O₂
Molecular Weight	234.30 g/mol
Exact Mass	234.14
IUPAC Name	cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid
SMILES	C1CC1.O=C(O)NN1CCc2ccccc2C1
InChI	InChI=1S/C10H12N2O2.C3H6/c13-10(14)11-12-6-5-8-3-1-2-4-9(8)7-12;1-2-3-1/h1-4,11H,5-7H2,(H,13,14);1-3H2
InChIKey	JVEZDYJHRAYIRQ-UHFFFAOYSA-N
XLogP	2.40
TPSA	52.57 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	234.30
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid?

The IUPAC name of Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid (CID 159033782) is cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid.

What is the SMILES notation for Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid?

The canonical SMILES for Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid is C1CC1.O=C(O)NN1CCc2ccccc2C1.

What is the InChIKey of Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid?

The InChIKey is JVEZDYJHRAYIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C3H6/c13-10(14)11-12-6-5-8-3-1-2-4-9(8)7-12;1-2-3-1/h1-4,11H,5-7H2,(H,13,14);1-3H2.

What are the key properties of Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid?

Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid has a molecular weight of 234.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid is sourced from PubChem (CID 159033782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159033782 — identifiers, structure, computed properties (public domain)

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