2-(1-nitroethenyl)guanidine

C3H6N4O2 — CID 88730130

IUPAC2-(1-nitroethenyl)guanidine
SMILESC=C(N=C(N)N)[N+](=O)[O-]
InChIInChI=1S/C3H6N4O2/c1-2(7(8)9)6-3(4)5/h1H2,(H4,4,5,6)
InChIKeyQCTAAJUEYPQQSM-UHFFFAOYSA-N
MW130.11 g/mol
LogP-0.99
Rot. Bonds2

About 2-(1-nitroethenyl)guanidine

2-(1-nitroethenyl)guanidine (PubChem CID 88730130) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is 2-(1-nitroethenyl)guanidine.

Molecular Properties

Compound Name2-(1-nitroethenyl)guanidine
PubChem CID88730130
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Name2-(1-nitroethenyl)guanidine
SMILESC=C(N=C(N)N)[N+](=O)[O-]
InChIInChI=1S/C3H6N4O2/c1-2(7(8)9)6-3(4)5/h1H2,(H4,4,5,6)
InChIKeyQCTAAJUEYPQQSM-UHFFFAOYSA-N
XLogP-0.99
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[[amino-(diaminomethylideneamino)methylidene]amino]diazenyl]-1-(diaminomethylidene)guanidine;bis(nitric acid)
CID 175891194
(3E)-4-(methylideneamino)-3-nitrobuta-1,3-dien-2-amine
CID 90399160
azanium;formaldehyde;urea;nitrate
CID 172716681
(3E)-3-(1-bromoethenylimino)-3-nitroprop-1-en-2-ol
CID 177187068
(3E)-4-nitrohexa-1,3,5-trien-2-amine
CID 142104623
azanium;urea;nitrate
CID 10130003
bis(nitric acid);urea
CID 163580845
azanium;urea;nitrate
CID 172844548
(E)-3-nitrobut-2-en-2-amine
CID 15369481
dicalcium;urea;nitrate;nitrite
CID 161317819
2-nitrobuta-1,3-diene
CID 12591973
(E)-4-nitrohex-3-en-3-amine
CID 102061300

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitroethenyl)guanidine?
The IUPAC name of 2-(1-nitroethenyl)guanidine (CID 88730130) is 2-(1-nitroethenyl)guanidine.
What is the SMILES notation for 2-(1-nitroethenyl)guanidine?
The canonical SMILES for 2-(1-nitroethenyl)guanidine is C=C(N=C(N)N)[N+](=O)[O-].
What is the InChIKey of 2-(1-nitroethenyl)guanidine?
The InChIKey is QCTAAJUEYPQQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4O2/c1-2(7(8)9)6-3(4)5/h1H2,(H4,4,5,6).
What are the key properties of 2-(1-nitroethenyl)guanidine?
2-(1-nitroethenyl)guanidine has a molecular weight of 130.11 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitroethenyl)guanidine is sourced from PubChem (CID 88730130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).