carbamic acid;spiro[2.2]pentane

C6H11NO2 — CID 119097498

IUPACcarbamic acid;spiro[2.2]pentane
SMILESC1CC12CC2.NC(=O)O
InChIInChI=1S/C5H8.CH3NO2/c1-2-5(1)3-4-5;2-1(3)4/h1-4H2;2H2,(H,3,4)
InChIKeyMIAZIBBRAAUZFD-UHFFFAOYSA-N
MW129.16 g/mol
LogP1.18
Rot. Bonds

About carbamic acid;spiro[2.2]pentane

carbamic acid;spiro[2.2]pentane (PubChem CID 119097498) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is carbamic acid;spiro[2.2]pentane.

Molecular Properties

Compound Namecarbamic acid;spiro[2.2]pentane
PubChem CID119097498
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namecarbamic acid;spiro[2.2]pentane
SMILESC1CC12CC2.NC(=O)O
InChIInChI=1S/C5H8.CH3NO2/c1-2-5(1)3-4-5;2-1(3)4/h1-4H2;2H2,(H,3,4)
InChIKeyMIAZIBBRAAUZFD-UHFFFAOYSA-N
XLogP1.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;spiro[2.2]pentane?
The IUPAC name of carbamic acid;spiro[2.2]pentane (CID 119097498) is carbamic acid;spiro[2.2]pentane.
What is the SMILES notation for carbamic acid;spiro[2.2]pentane?
The canonical SMILES for carbamic acid;spiro[2.2]pentane is C1CC12CC2.NC(=O)O.
What is the InChIKey of carbamic acid;spiro[2.2]pentane?
The InChIKey is MIAZIBBRAAUZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8.CH3NO2/c1-2-5(1)3-4-5;2-1(3)4/h1-4H2;2H2,(H,3,4).
What are the key properties of carbamic acid;spiro[2.2]pentane?
carbamic acid;spiro[2.2]pentane has a molecular weight of 129.16 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;spiro[2.2]pentane is sourced from PubChem (CID 119097498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).