methane;(2-nitropiperidin-1-yl)carbamic acid

C7H15N3O4 — CID 175264423

IUPACmethane;(2-nitropiperidin-1-yl)carbamic acid
SMILESC.O=C(O)NN1CCCCC1[N+](=O)[O-]
InChIInChI=1S/C6H11N3O4.CH4/c10-6(11)7-8-4-2-1-3-5(8)9(12)13;/h5,7H,1-4H2,(H,10,11);1H4
InChIKeyURAYSRXARDJWJO-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.89
Rot. Bonds2

About methane;(2-nitropiperidin-1-yl)carbamic acid

methane;(2-nitropiperidin-1-yl)carbamic acid (PubChem CID 175264423) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is methane;(2-nitropiperidin-1-yl)carbamic acid.

Molecular Properties

Compound Namemethane;(2-nitropiperidin-1-yl)carbamic acid
PubChem CID175264423
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Namemethane;(2-nitropiperidin-1-yl)carbamic acid
SMILESC.O=C(O)NN1CCCCC1[N+](=O)[O-]
InChIInChI=1S/C6H11N3O4.CH4/c10-6(11)7-8-4-2-1-3-5(8)9(12)13;/h5,7H,1-4H2,(H,10,11);1H4
InChIKeyURAYSRXARDJWJO-UHFFFAOYSA-N
XLogP0.89
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;(2-nitropiperidin-1-yl)carbamic acid?
The IUPAC name of methane;(2-nitropiperidin-1-yl)carbamic acid (CID 175264423) is methane;(2-nitropiperidin-1-yl)carbamic acid.
What is the SMILES notation for methane;(2-nitropiperidin-1-yl)carbamic acid?
The canonical SMILES for methane;(2-nitropiperidin-1-yl)carbamic acid is C.O=C(O)NN1CCCCC1[N+](=O)[O-].
What is the InChIKey of methane;(2-nitropiperidin-1-yl)carbamic acid?
The InChIKey is URAYSRXARDJWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4.CH4/c10-6(11)7-8-4-2-1-3-5(8)9(12)13;/h5,7H,1-4H2,(H,10,11);1H4.
What are the key properties of methane;(2-nitropiperidin-1-yl)carbamic acid?
methane;(2-nitropiperidin-1-yl)carbamic acid has a molecular weight of 205.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2-nitropiperidin-1-yl)carbamic acid is sourced from PubChem (CID 175264423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).