(2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane

C6H11N3O2 — CID 129302895

IUPAC(2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane
SMILESCC1CCN/C(=C/[N+](=O)[O-])N1
InChIInChI=1S/C6H11N3O2/c1-5-2-3-7-6(8-5)4-9(10)11/h4-5,7-8H,2-3H2,1H3/b6-4-
InChIKeySVCDCXJVVFEADN-XQRVVYSFSA-N
MW157.17 g/mol
LogP0.03
Rot. Bonds1

About (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane

(2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane (PubChem CID 129302895) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane.

Molecular Properties

Compound Name(2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane
PubChem CID129302895
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name(2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane
SMILESCC1CCN/C(=C/[N+](=O)[O-])N1
InChIInChI=1S/C6H11N3O2/c1-5-2-3-7-6(8-5)4-9(10)11/h4-5,7-8H,2-3H2,1H3/b6-4-
InChIKeySVCDCXJVVFEADN-XQRVVYSFSA-N
XLogP0.03
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.03
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 (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane?
The IUPAC name of (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane (CID 129302895) is (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane.
What is the SMILES notation for (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane?
The canonical SMILES for (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane is CC1CCN/C(=C/[N+](=O)[O-])N1.
What is the InChIKey of (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane?
The InChIKey is SVCDCXJVVFEADN-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-5-2-3-7-6(8-5)4-9(10)11/h4-5,7-8H,2-3H2,1H3/b6-4-.
What are the key properties of (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane?
(2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane has a molecular weight of 157.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methyl-2-(nitromethylidene)-1,3-diazinane is sourced from PubChem (CID 129302895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).