N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide

C11H17NO2 — CID 142375374

IUPACN-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide
SMILESCCCOC1=CCCC=C1N(C)C=O
InChIInChI=1S/C11H17NO2/c1-3-8-14-11-7-5-4-6-10(11)12(2)9-13/h6-7,9H,3-5,8H2,1-2H3
InChIKeyNYYVBMCDZNXNOP-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide

N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide (PubChem CID 142375374) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide
PubChem CID142375374
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide
SMILESCCCOC1=CCCC=C1N(C)C=O
InChIInChI=1S/C11H17NO2/c1-3-8-14-11-7-5-4-6-10(11)12(2)9-13/h6-7,9H,3-5,8H2,1-2H3
InChIKeyNYYVBMCDZNXNOP-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[(1E)-1-ethoxybuta-1,3-dienyl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 102578462
N-methyl-N-[(3E)-3-propoxyhexa-1,3,5-trien-2-yl]formamide
CID 134354235
ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 145384647
7-(1-Ethoxyethenyl)-2,3,4,5-tetrahydroazepine-1-carbaldehyde
CID 101907917
N-ethenyl-N-methyl-6-propoxycyclohexa-1,5-dien-1-amine
CID 142609317

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide?
The IUPAC name of N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide (CID 142375374) is N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide.
What is the SMILES notation for N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide?
The canonical SMILES for N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide is CCCOC1=CCCC=C1N(C)C=O.
What is the InChIKey of N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide?
The InChIKey is NYYVBMCDZNXNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-8-14-11-7-5-4-6-10(11)12(2)9-13/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide?
N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide has a molecular weight of 195.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-propoxycyclohexa-1,5-dien-1-yl)formamide is sourced from PubChem (CID 142375374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).