N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide

C13H19NO — CID 143335320

IUPACN-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide
SMILESCCCC1=CC=CC(C)(C)C=C1NC=O
InChIInChI=1S/C13H19NO/c1-4-6-11-7-5-8-13(2,3)9-12(11)14-10-15/h5,7-10H,4,6H2,1-3H3,(H,14,15)
InChIKeyDUAZVWSIIQBNNY-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.94
Rot. Bonds4

About N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide

N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide (PubChem CID 143335320) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide
PubChem CID143335320
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide
SMILESCCCC1=CC=CC(C)(C)C=C1NC=O
InChIInChI=1S/C13H19NO/c1-4-6-11-7-5-8-13(2,3)9-12(11)14-10-15/h5,7-10H,4,6H2,1-3H3,(H,14,15)
InChIKeyDUAZVWSIIQBNNY-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide?
The IUPAC name of N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide (CID 143335320) is N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide.
What is the SMILES notation for N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide?
The canonical SMILES for N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide is CCCC1=CC=CC(C)(C)C=C1NC=O.
What is the InChIKey of N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide?
The InChIKey is DUAZVWSIIQBNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-4-6-11-7-5-8-13(2,3)9-12(11)14-10-15/h5,7-10H,4,6H2,1-3H3,(H,14,15).
What are the key properties of N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide?
N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide has a molecular weight of 205.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-7-propylcyclohepta-1,4,6-trien-1-yl)formamide is sourced from PubChem (CID 143335320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).