1,2-di(cyclopenta-1,3-dien-1-yl)guanidine

C11H13N3 — CID 154623197

IUPAC1,2-di(cyclopenta-1,3-dien-1-yl)guanidine
SMILESN/C(=N\C1=CC=CC1)NC1=CC=CC1
InChIInChI=1S/C11H13N3/c12-11(13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-5,7H,6,8H2,(H3,12,13,14)
InChIKeyKGBVYWXYZQCAGE-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.58
Rot. Bonds2

About 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine

1,2-di(cyclopenta-1,3-dien-1-yl)guanidine (PubChem CID 154623197) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine.

Molecular Properties

Compound Name1,2-di(cyclopenta-1,3-dien-1-yl)guanidine
PubChem CID154623197
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1,2-di(cyclopenta-1,3-dien-1-yl)guanidine
SMILESN/C(=N\C1=CC=CC1)NC1=CC=CC1
InChIInChI=1S/C11H13N3/c12-11(13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-5,7H,6,8H2,(H3,12,13,14)
InChIKeyKGBVYWXYZQCAGE-UHFFFAOYSA-N
XLogP1.58
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.58
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'}

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Related Compounds

ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
CID 145203944
[Amino-(cyclopenta-1,3-dien-1-ylamino)methylidene]-cyclopenta-1,3-dien-1-ylazanium
CID 154623196
Cyclopenta-1,3-dien-1-yl-[(cyclopenta-1,3-dien-1-ylamino)methylidene]azanium
CID 164793032
N,N'-di(cyclopenta-1,3-dien-1-yl)methanimidamide
CID 164793033
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
CID 145203945
1-[Amino-(cyclopenta-1,4-dien-1-ylamino)methylidene]-2-methylguanidine
CID 157078723
1-Cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine
CID 157078724

Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine?
The IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine (CID 154623197) is 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine.
What is the SMILES notation for 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine?
The canonical SMILES for 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine is N/C(=N\C1=CC=CC1)NC1=CC=CC1.
What is the InChIKey of 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine?
The InChIKey is KGBVYWXYZQCAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-11(13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-5,7H,6,8H2,(H3,12,13,14).
What are the key properties of 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine?
1,2-di(cyclopenta-1,3-dien-1-yl)guanidine has a molecular weight of 187.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclopenta-1,3-dien-1-yl)guanidine is sourced from PubChem (CID 154623197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).