ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde

C9H17NO — CID 178132157

IUPACethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESCC.CC1=CCN(C=O)CC1
InChIInChI=1S/C7H11NO.C2H6/c1-7-2-4-8(6-9)5-3-7;1-2/h2,6H,3-5H2,1H3;1-2H3
InChIKeyCACUHZFLGASWGO-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds1

About ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde

ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde (PubChem CID 178132157) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Nameethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde
PubChem CID178132157
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nameethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde
SMILESCC.CC1=CCN(C=O)CC1
InChIInChI=1S/C7H11NO.C2H6/c1-7-2-4-8(6-9)5-3-7;1-2/h2,6H,3-5H2,1H3;1-2H3
InChIKeyCACUHZFLGASWGO-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(6-methylhept-5-en-2-yl)formamide
CID 2867109
N-methyl-N-(6-methylhept-5-en-2-yl)formamide
CID 165348661
4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 114490818
Methyl 3,6-dihydro-4-methyl-1(2H)-pyridinecarboxylate
CID 12224401
1-(4-Methyl-1,2,3,6-tetrahydropyridin-1-yl)ethan-1-one
CID 20780858
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 23396920
4-Ethylidenepiperidine-1-carbaldehyde
CID 57602862
4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 57812363
1-(5-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 58691721
methyl 5-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58745557
CID 59694672
CID 59694672
CID 60038834
CID 60038834

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde (CID 178132157) is ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The canonical SMILES for ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde is CC.CC1=CCN(C=O)CC1.
What is the InChIKey of ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
The InChIKey is CACUHZFLGASWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C2H6/c1-7-2-4-8(6-9)5-3-7;1-2/h2,6H,3-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde?
ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde has a molecular weight of 155.24 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 178132157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).