2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde

C9H15NO — CID 129229808

IUPAC2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde
SMILESCNC1C=CC(CC=O)CC1
InChIInChI=1S/C9H15NO/c1-10-9-4-2-8(3-5-9)6-7-11/h2,4,7-10H,3,5-6H2,1H3
InChIKeyCQHIWRODNSNHDY-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde

2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde (PubChem CID 129229808) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde
PubChem CID129229808
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde
SMILESCNC1C=CC(CC=O)CC1
InChIInChI=1S/C9H15NO/c1-10-9-4-2-8(3-5-9)6-7-11/h2,4,7-10H,3,5-6H2,1H3
InChIKeyCQHIWRODNSNHDY-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde (CID 129229808) is 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde is CNC1C=CC(CC=O)CC1.
What is the InChIKey of 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde?
The InChIKey is CQHIWRODNSNHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-9-4-2-8(3-5-9)6-7-11/h2,4,7-10H,3,5-6H2,1H3.
What are the key properties of 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde?
2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde has a molecular weight of 153.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)cyclohex-2-en-1-yl]acetaldehyde is sourced from PubChem (CID 129229808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).