2-adamantylcarbamic acid;hydrochloride

C11H18ClNO2 — CID 175270155

IUPAC2-adamantylcarbamic acid;hydrochloride
SMILESCl.O=C(O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17NO2.ClH/c13-11(14)12-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10,12H,1-5H2,(H,13,14);1H
InChIKeyIZIVIFMJUADNHD-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.50
Rot. Bonds1

About 2-adamantylcarbamic acid;hydrochloride

2-adamantylcarbamic acid;hydrochloride (PubChem CID 175270155) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-adamantylcarbamic acid;hydrochloride.

Molecular Properties

Compound Name2-adamantylcarbamic acid;hydrochloride
PubChem CID175270155
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-adamantylcarbamic acid;hydrochloride
SMILESCl.O=C(O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H17NO2.ClH/c13-11(14)12-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10,12H,1-5H2,(H,13,14);1H
InChIKeyIZIVIFMJUADNHD-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-adamantylcarbamic acid;hydrochloride?
The IUPAC name of 2-adamantylcarbamic acid;hydrochloride (CID 175270155) is 2-adamantylcarbamic acid;hydrochloride.
What is the SMILES notation for 2-adamantylcarbamic acid;hydrochloride?
The canonical SMILES for 2-adamantylcarbamic acid;hydrochloride is Cl.O=C(O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantylcarbamic acid;hydrochloride?
The InChIKey is IZIVIFMJUADNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c13-11(14)12-10-8-2-6-1-7(4-8)5-9(10)3-6;/h6-10,12H,1-5H2,(H,13,14);1H.
What are the key properties of 2-adamantylcarbamic acid;hydrochloride?
2-adamantylcarbamic acid;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantylcarbamic acid;hydrochloride is sourced from PubChem (CID 175270155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).