1-phenyl-1-prop-2-enylguanidine

C10H13N3 — CID 95911307

IUPAC1-phenyl-1-prop-2-enylguanidine
SMILES[H]/N=C(\N)N(CC=C)c1ccccc1
InChIInChI=1S/C10H13N3/c1-2-8-13(10(11)12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H3,11,12)
InChIKeyICHYBJYVIXQMSU-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.57
Rot. Bonds3

About 1-phenyl-1-prop-2-enylguanidine

1-phenyl-1-prop-2-enylguanidine (PubChem CID 95911307) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-phenyl-1-prop-2-enylguanidine.

Molecular Properties

Compound Name1-phenyl-1-prop-2-enylguanidine
PubChem CID95911307
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1-phenyl-1-prop-2-enylguanidine
SMILES[H]/N=C(\N)N(CC=C)c1ccccc1
InChIInChI=1S/C10H13N3/c1-2-8-13(10(11)12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H3,11,12)
InChIKeyICHYBJYVIXQMSU-UHFFFAOYSA-N
XLogP1.57
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.57
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-benzyl-1-phenylguanidine
CID 9460
N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
CID 142821122
1-phenyl-1-(2-sulfanylethyl)guanidine;hydrobromide
CID 131849253
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
1-phenyl-1-(N-phenylanilino)guanidine
CID 68911942
N-phenyl-N-prop-2-enylcyclopropanecarboxamide
CID 78836355
2-chloro-N-phenyl-N-prop-2-enylpropanamide
CID 14417035
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
2-fluoro-N-phenyl-N-prop-2-enylbenzamide
CID 78795026
3-(diaminomethylidene)-1-(hydroxymethyl)-1-phenylguanidine
CID 175345230
1-tert-butyl-1-phenylguanidine
CID 23103889
2,3,3,3-tetrafluoro-2-methyl-N-phenyl-N-prop-2-enylpropanamide
CID 118052424

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-prop-2-enylguanidine?
The IUPAC name of 1-phenyl-1-prop-2-enylguanidine (CID 95911307) is 1-phenyl-1-prop-2-enylguanidine.
What is the SMILES notation for 1-phenyl-1-prop-2-enylguanidine?
The canonical SMILES for 1-phenyl-1-prop-2-enylguanidine is [H]/N=C(\N)N(CC=C)c1ccccc1.
What is the InChIKey of 1-phenyl-1-prop-2-enylguanidine?
The InChIKey is ICHYBJYVIXQMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-8-13(10(11)12)9-6-4-3-5-7-9/h2-7H,1,8H2,(H3,11,12).
What are the key properties of 1-phenyl-1-prop-2-enylguanidine?
1-phenyl-1-prop-2-enylguanidine has a molecular weight of 175.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-prop-2-enylguanidine is sourced from PubChem (CID 95911307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).