cyclopentyl(formyl)carbamic acid;hydrochloride

C7H12ClNO3 — CID 88830409

IUPACcyclopentyl(formyl)carbamic acid;hydrochloride
SMILESCl.O=CN(C(=O)O)C1CCCC1
InChIInChI=1S/C7H11NO3.ClH/c9-5-8(7(10)11)6-3-1-2-4-6;/h5-6H,1-4H2,(H,10,11);1H
InChIKeyISTBARLKUSQALA-UHFFFAOYSA-N
MW193.63 g/mol
LogP1.49
Rot. Bonds2

About cyclopentyl(formyl)carbamic acid;hydrochloride

cyclopentyl(formyl)carbamic acid;hydrochloride (PubChem CID 88830409) has the molecular formula C7H12ClNO3 and a molecular weight of 193.63 g/mol. Its IUPAC name is cyclopentyl(formyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Namecyclopentyl(formyl)carbamic acid;hydrochloride
PubChem CID88830409
Molecular FormulaC7H12ClNO3
Molecular Weight193.63 g/mol
Exact Mass193.05
IUPAC Namecyclopentyl(formyl)carbamic acid;hydrochloride
SMILESCl.O=CN(C(=O)O)C1CCCC1
InChIInChI=1S/C7H11NO3.ClH/c9-5-8(7(10)11)6-3-1-2-4-6;/h5-6H,1-4H2,(H,10,11);1H
InChIKeyISTBARLKUSQALA-UHFFFAOYSA-N
XLogP1.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl(formyl)carbamic acid;hydrochloride?
The IUPAC name of cyclopentyl(formyl)carbamic acid;hydrochloride (CID 88830409) is cyclopentyl(formyl)carbamic acid;hydrochloride.
What is the SMILES notation for cyclopentyl(formyl)carbamic acid;hydrochloride?
The canonical SMILES for cyclopentyl(formyl)carbamic acid;hydrochloride is Cl.O=CN(C(=O)O)C1CCCC1.
What is the InChIKey of cyclopentyl(formyl)carbamic acid;hydrochloride?
The InChIKey is ISTBARLKUSQALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.ClH/c9-5-8(7(10)11)6-3-1-2-4-6;/h5-6H,1-4H2,(H,10,11);1H.
What are the key properties of cyclopentyl(formyl)carbamic acid;hydrochloride?
cyclopentyl(formyl)carbamic acid;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl(formyl)carbamic acid;hydrochloride is sourced from PubChem (CID 88830409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).