2-azatricyclo[3.3.1.13,7]decane;carbamic acid

C10H18N2O2 — CID 66771606

IUPAC2-azatricyclo[3.3.1.13,7]decane;carbamic acid
SMILESC1C2CC3CC1CC(C2)N3.NC(=O)O
InChIInChI=1S/C9H15N.CH3NO2/c1-6-2-8-4-7(1)5-9(3-6)10-8;2-1(3)4/h6-10H,1-5H2;2H2,(H,3,4)
InChIKeyIDKPEKMWSADEAQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.16
Rot. Bonds

About 2-azatricyclo[3.3.1.13,7]decane;carbamic acid

2-azatricyclo[3.3.1.13,7]decane;carbamic acid (PubChem CID 66771606) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-azatricyclo[3.3.1.13,7]decane;carbamic acid.

Molecular Properties

Compound Name2-azatricyclo[3.3.1.13,7]decane;carbamic acid
PubChem CID66771606
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-azatricyclo[3.3.1.13,7]decane;carbamic acid
SMILESC1C2CC3CC1CC(C2)N3.NC(=O)O
InChIInChI=1S/C9H15N.CH3NO2/c1-6-2-8-4-7(1)5-9(3-6)10-8;2-1(3)4/h6-10H,1-5H2;2H2,(H,3,4)
InChIKeyIDKPEKMWSADEAQ-UHFFFAOYSA-N
XLogP1.16
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[3.3.1.13,7]decane;carbamic acid?
The IUPAC name of 2-azatricyclo[3.3.1.13,7]decane;carbamic acid (CID 66771606) is 2-azatricyclo[3.3.1.13,7]decane;carbamic acid.
What is the SMILES notation for 2-azatricyclo[3.3.1.13,7]decane;carbamic acid?
The canonical SMILES for 2-azatricyclo[3.3.1.13,7]decane;carbamic acid is C1C2CC3CC1CC(C2)N3.NC(=O)O.
What is the InChIKey of 2-azatricyclo[3.3.1.13,7]decane;carbamic acid?
The InChIKey is IDKPEKMWSADEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.CH3NO2/c1-6-2-8-4-7(1)5-9(3-6)10-8;2-1(3)4/h6-10H,1-5H2;2H2,(H,3,4).
What are the key properties of 2-azatricyclo[3.3.1.13,7]decane;carbamic acid?
2-azatricyclo[3.3.1.13,7]decane;carbamic acid has a molecular weight of 198.27 g/mol, XLogP of 1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[3.3.1.13,7]decane;carbamic acid is sourced from PubChem (CID 66771606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).