(4-methylcyclohexa-1,3-dien-1-yl)-propylazanide

C10H16N- — CID 123337355

IUPAC(4-methylcyclohexa-1,3-dien-1-yl)-propylazanide
SMILESCCC[N-]C1=CC=C(C)CC1
InChIInChI=1S/C10H16N/c1-3-8-11-10-6-4-9(2)5-7-10/h4,6H,3,5,7-8H2,1-2H3/q-1
InChIKeyZPRDYZHTWAIKCW-UHFFFAOYSA-N
MW150.24 g/mol
LogP3.39
Rot. Bonds3

About (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide

(4-methylcyclohexa-1,3-dien-1-yl)-propylazanide (PubChem CID 123337355) has the molecular formula C10H16N- and a molecular weight of 150.24 g/mol. Its IUPAC name is (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide.

Molecular Properties

Compound Name(4-methylcyclohexa-1,3-dien-1-yl)-propylazanide
PubChem CID123337355
Molecular FormulaC10H16N-
Molecular Weight150.24 g/mol
Exact Mass150.13
IUPAC Name(4-methylcyclohexa-1,3-dien-1-yl)-propylazanide
SMILESCCC[N-]C1=CC=C(C)CC1
InChIInChI=1S/C10H16N/c1-3-8-11-10-6-4-9(2)5-7-10/h4,6H,3,5,7-8H2,1-2H3/q-1
InChIKeyZPRDYZHTWAIKCW-UHFFFAOYSA-N
XLogP3.39
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide?
The IUPAC name of (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide (CID 123337355) is (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide.
What is the SMILES notation for (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide?
The canonical SMILES for (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide is CCC[N-]C1=CC=C(C)CC1.
What is the InChIKey of (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide?
The InChIKey is ZPRDYZHTWAIKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N/c1-3-8-11-10-6-4-9(2)5-7-10/h4,6H,3,5,7-8H2,1-2H3/q-1.
What are the key properties of (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide?
(4-methylcyclohexa-1,3-dien-1-yl)-propylazanide has a molecular weight of 150.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexa-1,3-dien-1-yl)-propylazanide is sourced from PubChem (CID 123337355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).