3-prop-1-en-2-ylbenzene-1,2-diamine

C9H12N2 — CID 19760771

IUPAC3-prop-1-en-2-ylbenzene-1,2-diamine
SMILESC=C(C)c1cccc(N)c1N
InChIInChI=1S/C9H12N2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-5H,1,10-11H2,2H3
InChIKeyOISSRUGUJBPFBT-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.88
Rot. Bonds1

About 3-prop-1-en-2-ylbenzene-1,2-diamine

3-prop-1-en-2-ylbenzene-1,2-diamine (PubChem CID 19760771) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-prop-1-en-2-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-prop-1-en-2-ylbenzene-1,2-diamine
PubChem CID19760771
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-prop-1-en-2-ylbenzene-1,2-diamine
SMILESC=C(C)c1cccc(N)c1N
InChIInChI=1S/C9H12N2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-5H,1,10-11H2,2H3
InChIKeyOISSRUGUJBPFBT-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-ylbenzene-1,2-diamine?
The IUPAC name of 3-prop-1-en-2-ylbenzene-1,2-diamine (CID 19760771) is 3-prop-1-en-2-ylbenzene-1,2-diamine.
What is the SMILES notation for 3-prop-1-en-2-ylbenzene-1,2-diamine?
The canonical SMILES for 3-prop-1-en-2-ylbenzene-1,2-diamine is C=C(C)c1cccc(N)c1N.
What is the InChIKey of 3-prop-1-en-2-ylbenzene-1,2-diamine?
The InChIKey is OISSRUGUJBPFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6(2)7-4-3-5-8(10)9(7)11/h3-5H,1,10-11H2,2H3.
What are the key properties of 3-prop-1-en-2-ylbenzene-1,2-diamine?
3-prop-1-en-2-ylbenzene-1,2-diamine has a molecular weight of 148.21 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-ylbenzene-1,2-diamine is sourced from PubChem (CID 19760771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).