1-cyclopent-2-en-1-yl-2-methylguanidine

C7H13N3 — CID 54210721

IUPAC1-cyclopent-2-en-1-yl-2-methylguanidine
SMILESC/N=C(\N)NC1C=CCC1
InChIInChI=1S/C7H13N3/c1-9-7(8)10-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3,(H3,8,9,10)
InChIKeyPVTFUWAMOXVEPJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.24
Rot. Bonds1

About 1-cyclopent-2-en-1-yl-2-methylguanidine

1-cyclopent-2-en-1-yl-2-methylguanidine (PubChem CID 54210721) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-yl-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopent-2-en-1-yl-2-methylguanidine
PubChem CID54210721
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-cyclopent-2-en-1-yl-2-methylguanidine
SMILESC/N=C(\N)NC1C=CCC1
InChIInChI=1S/C7H13N3/c1-9-7(8)10-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3,(H3,8,9,10)
InChIKeyPVTFUWAMOXVEPJ-UHFFFAOYSA-N
XLogP0.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopent-3-en-1-yl-3-(2,2-difluoroethyl)-2-methylguanidine
CID 109770909
1-Cyclopent-3-en-1-yl-3-ethyl-2-(3-fluoropropyl)guanidine
CID 109771081
1-Cyclopent-2-en-1-yl-2-methylguanidine;sulfuric acid
CID 70609443
2-Methyl-1-pent-4-en-2-ylguanidine
CID 115769278
N-cyclopent-2-en-1-yl-4,5-dihydro-1H-imidazol-2-amine
CID 141029351
5-ethenyl-4-[(Z)-prop-1-enyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 144094904
1-Cyclohex-3-en-1-yl-2-cyclopentylguanidine
CID 65679364
1-Cyclohex-3-en-1-yl-2-ethylguanidine
CID 65679563
1-Cyclohex-3-en-1-yl-2-(2-methylpropyl)guanidine
CID 65679564
1-Cyclohex-3-en-1-yl-2-methylguanidine
CID 65679565
2-Cyclohex-3-en-1-yl-1-propan-2-ylguanidine
CID 65679772
1-Cyclohex-3-en-1-yl-2-propylguanidine
CID 65679978

Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-2-en-1-yl-2-methylguanidine?
The IUPAC name of 1-cyclopent-2-en-1-yl-2-methylguanidine (CID 54210721) is 1-cyclopent-2-en-1-yl-2-methylguanidine.
What is the SMILES notation for 1-cyclopent-2-en-1-yl-2-methylguanidine?
The canonical SMILES for 1-cyclopent-2-en-1-yl-2-methylguanidine is C/N=C(\N)NC1C=CCC1.
What is the InChIKey of 1-cyclopent-2-en-1-yl-2-methylguanidine?
The InChIKey is PVTFUWAMOXVEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-9-7(8)10-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3,(H3,8,9,10).
What are the key properties of 1-cyclopent-2-en-1-yl-2-methylguanidine?
1-cyclopent-2-en-1-yl-2-methylguanidine has a molecular weight of 139.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-yl-2-methylguanidine is sourced from PubChem (CID 54210721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).