1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine

C7H14N4O3 — CID 154397272

IUPAC1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine
SMILESCNC(=N[N+](=O)[O-])N(C)C1CCCO1
InChIInChI=1S/C7H14N4O3/c1-8-7(9-11(12)13)10(2)6-4-3-5-14-6/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyXVAWQQXJAPKCFF-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.18
Rot. Bonds2

About 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine

1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine (PubChem CID 154397272) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine.

Molecular Properties

Compound Name1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine
PubChem CID154397272
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC Name1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine
SMILESCNC(=N[N+](=O)[O-])N(C)C1CCCO1
InChIInChI=1S/C7H14N4O3/c1-8-7(9-11(12)13)10(2)6-4-3-5-14-6/h6H,3-5H2,1-2H3,(H,8,9)
InChIKeyXVAWQQXJAPKCFF-UHFFFAOYSA-N
XLogP-0.18
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-nitro-3-(oxolan-2-ylmethyl)guanidine
CID 135532667
(2S)-2-[[methyl(oxolan-2-yl)carbamoyl]amino]propanoic acid
CID 155904090
1-(4-chlorophenyl)-1,3-dimethyl-2-nitroguanidine
CID 151780320
(2R)-N,N-dimethyloxan-2-amine
CID 92983084
1-cyclobutyl-1,2,3-trimethylguanidine
CID 131097015
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
1,3-dimethyl-1-(oxan-4-yl)thiourea
CID 115669238
methyl N-[3-[methyl(oxolan-3-ylmethyl)amino]propyl]-N'-nitrocarbamimidothioate
CID 139702738
N-cyclobutyl-N-methyloxolane-2-carboxamide
CID 127002329
2-nitro-1-(oxolan-3-ylmethyl)guanidine
CID 137133190
6-chloro-N-methyl-3-nitro-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435734
2-methoxy-3-nitrooxane
CID 175828059

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine?
The IUPAC name of 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine (CID 154397272) is 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine.
What is the SMILES notation for 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine?
The canonical SMILES for 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine is CNC(=N[N+](=O)[O-])N(C)C1CCCO1.
What is the InChIKey of 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine?
The InChIKey is XVAWQQXJAPKCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-8-7(9-11(12)13)10(2)6-4-3-5-14-6/h6H,3-5H2,1-2H3,(H,8,9).
What are the key properties of 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine?
1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine has a molecular weight of 202.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-nitro-1-(oxolan-2-yl)guanidine is sourced from PubChem (CID 154397272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).