carbamic acid;methylcyclopropane;hydrochloride

C5H12ClNO2 — CID 175193332

IUPACcarbamic acid;methylcyclopropane;hydrochloride
SMILESCC1CC1.Cl.NC(=O)O
InChIInChI=1S/C4H8.CH3NO2.ClH/c1-4-2-3-4;2-1(3)4;/h4H,2-3H2,1H3;2H2,(H,3,4);1H
InChIKeyJLBIEDLZMIRODI-UHFFFAOYSA-N
MW153.61 g/mol
LogP1.46
Rot. Bonds

About carbamic acid;methylcyclopropane;hydrochloride

carbamic acid;methylcyclopropane;hydrochloride (PubChem CID 175193332) has the molecular formula C5H12ClNO2 and a molecular weight of 153.61 g/mol. Its IUPAC name is carbamic acid;methylcyclopropane;hydrochloride.

Molecular Properties

Compound Namecarbamic acid;methylcyclopropane;hydrochloride
PubChem CID175193332
Molecular FormulaC5H12ClNO2
Molecular Weight153.61 g/mol
Exact Mass153.06
IUPAC Namecarbamic acid;methylcyclopropane;hydrochloride
SMILESCC1CC1.Cl.NC(=O)O
InChIInChI=1S/C4H8.CH3NO2.ClH/c1-4-2-3-4;2-1(3)4;/h4H,2-3H2,1H3;2H2,(H,3,4);1H
InChIKeyJLBIEDLZMIRODI-UHFFFAOYSA-N
XLogP1.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.61
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;methylcyclopropane;hydrochloride?
The IUPAC name of carbamic acid;methylcyclopropane;hydrochloride (CID 175193332) is carbamic acid;methylcyclopropane;hydrochloride.
What is the SMILES notation for carbamic acid;methylcyclopropane;hydrochloride?
The canonical SMILES for carbamic acid;methylcyclopropane;hydrochloride is CC1CC1.Cl.NC(=O)O.
What is the InChIKey of carbamic acid;methylcyclopropane;hydrochloride?
The InChIKey is JLBIEDLZMIRODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.CH3NO2.ClH/c1-4-2-3-4;2-1(3)4;/h4H,2-3H2,1H3;2H2,(H,3,4);1H.
What are the key properties of carbamic acid;methylcyclopropane;hydrochloride?
carbamic acid;methylcyclopropane;hydrochloride has a molecular weight of 153.61 g/mol, XLogP of 1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;methylcyclopropane;hydrochloride is sourced from PubChem (CID 175193332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).