2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde

C8H11NO — CID 54379349

IUPAC2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde
SMILESO=CCNC1C=CC=CC1
InChIInChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-4,7-9H,5-6H2
InChIKeyXSJGMQLOGJEGSO-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.66
Rot. Bonds3

About 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde

2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde (PubChem CID 54379349) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde.

Molecular Properties

Compound Name2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde
PubChem CID54379349
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde
SMILESO=CCNC1C=CC=CC1
InChIInChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-4,7-9H,5-6H2
InChIKeyXSJGMQLOGJEGSO-UHFFFAOYSA-N
XLogP0.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,6-Tetrahydropyridine-6-carbaldehyde
CID 19932494
2-(Cyclohexa-1,4-dien-1-ylamino)acetaldehyde
CID 20293285
2-[[(E)-hex-4-enyl]amino]acetaldehyde
CID 20324620
2-(Cyclohexa-1,3-dien-1-ylamino)acetaldehyde
CID 21328364
2-Hex-4-enylaminoacetaldehyde
CID 54499301
1,2,3,6-Tetrahydropyridine-2-carbaldehyde
CID 91247650
5-ethenyl-2,3,6,7-tetrahydro-1H-azepine-2-carbaldehyde
CID 137488410
4-[(Z)-but-1-enyl]-5-methyl-1,2,3,6-tetrahydropyridine-2-carbaldehyde
CID 143491913
1,3-dideuterio-6-methyl-2H-pyridine-2-carbaldehyde
CID 176284319
2-[[(4Z,6Z)-nona-4,6,8-trien-2-yl]amino]acetaldehyde
CID 143628780
(2S,3E)-2-(methylamino)-3-[(Z)-prop-1-enyl]hexa-3,5-dienal
CID 144197365
(5Z,7Z)-1,2,3,4,9,10-hexahydroazecine-2-carbaldehyde
CID 144722434

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde?
The IUPAC name of 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde (CID 54379349) is 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde.
What is the SMILES notation for 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde?
The canonical SMILES for 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde is O=CCNC1C=CC=CC1.
What is the InChIKey of 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde?
The InChIKey is XSJGMQLOGJEGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-4,7-9H,5-6H2.
What are the key properties of 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde?
2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde has a molecular weight of 137.18 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexa-2,4-dien-1-ylamino)acetaldehyde is sourced from PubChem (CID 54379349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).