1-N'-cyclopropyl-2-nitroethene-1,1-diamine

C5H9N3O2 — CID 67863544

IUPAC1-N'-cyclopropyl-2-nitroethene-1,1-diamine
SMILESNC(=C[N+](=O)[O-])NC1CC1
InChIInChI=1S/C5H9N3O2/c6-5(3-8(9)10)7-4-1-2-4/h3-4,7H,1-2,6H2
InChIKeyVOZDUBVHFBHSOL-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.23
Rot. Bonds3

About 1-N'-cyclopropyl-2-nitroethene-1,1-diamine

1-N'-cyclopropyl-2-nitroethene-1,1-diamine (PubChem CID 67863544) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 1-N'-cyclopropyl-2-nitroethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-cyclopropyl-2-nitroethene-1,1-diamine
PubChem CID67863544
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name1-N'-cyclopropyl-2-nitroethene-1,1-diamine
SMILESNC(=C[N+](=O)[O-])NC1CC1
InChIInChI=1S/C5H9N3O2/c6-5(3-8(9)10)7-4-1-2-4/h3-4,7H,1-2,6H2
InChIKeyVOZDUBVHFBHSOL-UHFFFAOYSA-N
XLogP-0.23
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.23
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'}

Analyze 1-N'-cyclopropyl-2-nitroethene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-2-nitroguanidine
CID 137263514
1,3-bis[4-(carbamoylamino)cyclohexyl]urea
CID 163452854
(E)-1-N'-(4,4-dimethylpentyl)-2-nitroethene-1,1-diamine
CID 59463868
(4-chlorocyclohexyl)urea
CID 86732946
N-cyclohexyl-2-methyl-4-nitrobut-3-enamide
CID 70560408
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-nitrobenzamide
CID 43400441
1-cyclopropyl-3-(1-oxothian-4-yl)urea
CID 104594564
acetaldehyde;ethane;[4-(methylamino)cyclohexyl]urea
CID 144985751
[4-(2,2-dimethylpropanoylamino)cyclohexyl] nitrate
CID 15683547
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885
[4-(2-hydroxypropanoylamino)cyclohexyl] nitrate
CID 15133159
[4-(aminomethyl)cyclohexyl]urea
CID 130538291

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopropyl-2-nitroethene-1,1-diamine?
The IUPAC name of 1-N'-cyclopropyl-2-nitroethene-1,1-diamine (CID 67863544) is 1-N'-cyclopropyl-2-nitroethene-1,1-diamine.
What is the SMILES notation for 1-N'-cyclopropyl-2-nitroethene-1,1-diamine?
The canonical SMILES for 1-N'-cyclopropyl-2-nitroethene-1,1-diamine is NC(=C[N+](=O)[O-])NC1CC1.
What is the InChIKey of 1-N'-cyclopropyl-2-nitroethene-1,1-diamine?
The InChIKey is VOZDUBVHFBHSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-5(3-8(9)10)7-4-1-2-4/h3-4,7H,1-2,6H2.
What are the key properties of 1-N'-cyclopropyl-2-nitroethene-1,1-diamine?
1-N'-cyclopropyl-2-nitroethene-1,1-diamine has a molecular weight of 143.15 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopropyl-2-nitroethene-1,1-diamine is sourced from PubChem (CID 67863544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).