benzene;carbamic acid;methanamine

C8H14N2O2 — CID 174553870

IUPACbenzene;carbamic acid;methanamine
SMILESCN.NC(=O)O.c1ccccc1
InChIInChI=1S/C6H6.CH3NO2.CH5N/c1-2-4-6-5-3-1;2-1(3)4;1-2/h1-6H;2H2,(H,3,4);2H2,1H3
InChIKeyFEITUPSMBVZMDX-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.88
Rot. Bonds

About benzene;carbamic acid;methanamine

benzene;carbamic acid;methanamine (PubChem CID 174553870) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is benzene;carbamic acid;methanamine.

Molecular Properties

Compound Namebenzene;carbamic acid;methanamine
PubChem CID174553870
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Namebenzene;carbamic acid;methanamine
SMILESCN.NC(=O)O.c1ccccc1
InChIInChI=1S/C6H6.CH3NO2.CH5N/c1-2-4-6-5-3-1;2-1(3)4;1-2/h1-6H;2H2,(H,3,4);2H2,1H3
InChIKeyFEITUPSMBVZMDX-UHFFFAOYSA-N
XLogP0.88
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;carbamic acid;methanamine?
The IUPAC name of benzene;carbamic acid;methanamine (CID 174553870) is benzene;carbamic acid;methanamine.
What is the SMILES notation for benzene;carbamic acid;methanamine?
The canonical SMILES for benzene;carbamic acid;methanamine is CN.NC(=O)O.c1ccccc1.
What is the InChIKey of benzene;carbamic acid;methanamine?
The InChIKey is FEITUPSMBVZMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH3NO2.CH5N/c1-2-4-6-5-3-1;2-1(3)4;1-2/h1-6H;2H2,(H,3,4);2H2,1H3.
What are the key properties of benzene;carbamic acid;methanamine?
benzene;carbamic acid;methanamine has a molecular weight of 170.21 g/mol, XLogP of 0.88, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbamic acid;methanamine is sourced from PubChem (CID 174553870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).