1-cyclopentyl-2-nitroguanidine

C6H12N4O2 — CID 137263514

IUPAC1-cyclopentyl-2-nitroguanidine
SMILESN/C(=N\[N+](=O)[O-])NC1CCCC1
InChIInChI=1S/C6H12N4O2/c7-6(9-10(11)12)8-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8,9)
InChIKeyXZRYPOLWUYVSKN-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.03
Rot. Bonds2

About 1-cyclopentyl-2-nitroguanidine

1-cyclopentyl-2-nitroguanidine (PubChem CID 137263514) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 1-cyclopentyl-2-nitroguanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-nitroguanidine
PubChem CID137263514
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name1-cyclopentyl-2-nitroguanidine
SMILESN/C(=N\[N+](=O)[O-])NC1CCCC1
InChIInChI=1S/C6H12N4O2/c7-6(9-10(11)12)8-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8,9)
InChIKeyXZRYPOLWUYVSKN-UHFFFAOYSA-N
XLogP0.03
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide
CID 136665437
N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide
CID 135534645
1-cyclohexyl-2-[(3-nitrophenyl)methyl]guanidine
CID 62505388
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
1-cyclohexyl-2-ethylguanidine
CID 18727697
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
N-cyclopentylcyclobutanecarboxamide
CID 21158774
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
1-cyclohexyl-2-(1,1-dioxothian-4-yl)guanidine
CID 62364730
1-cyclopentyl-2-[[3-nitro-5-(trifluoromethyl)phenyl]methyl]guanidine
CID 120602794

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-nitroguanidine?
The IUPAC name of 1-cyclopentyl-2-nitroguanidine (CID 137263514) is 1-cyclopentyl-2-nitroguanidine.
What is the SMILES notation for 1-cyclopentyl-2-nitroguanidine?
The canonical SMILES for 1-cyclopentyl-2-nitroguanidine is N/C(=N\[N+](=O)[O-])NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-nitroguanidine?
The InChIKey is XZRYPOLWUYVSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-6(9-10(11)12)8-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8,9).
What are the key properties of 1-cyclopentyl-2-nitroguanidine?
1-cyclopentyl-2-nitroguanidine has a molecular weight of 172.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-nitroguanidine is sourced from PubChem (CID 137263514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).