(4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde

C10H17NO — CID 153357949

IUPAC(4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde
SMILESCNC1CC/C=C\CCC1C=O
InChIInChI=1S/C10H17NO/c1-11-10-7-5-3-2-4-6-9(10)8-12/h2-3,8-11H,4-7H2,1H3/b3-2-
InChIKeyBUYBDPROTWJBSJ-IHWYPQMZSA-N
MW167.25 g/mol
LogP1.52
Rot. Bonds2

About (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde

(4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde (PubChem CID 153357949) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde.

Molecular Properties

Compound Name(4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde
PubChem CID153357949
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde
SMILESCNC1CC/C=C\CCC1C=O
InChIInChI=1S/C10H17NO/c1-11-10-7-5-3-2-4-6-9(10)8-12/h2-3,8-11H,4-7H2,1H3/b3-2-
InChIKeyBUYBDPROTWJBSJ-IHWYPQMZSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.52
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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Related Compounds

(E)-9-fluoro-5-(methylamino)-6-[(Z)-prop-1-enyl]dec-8-enal
CID 155394733
1-[(1R,4Z)-8-(methylamino)cyclooct-4-en-1-yl]ethanone
CID 58855621
1-[(4Z,8R)-8-(methylamino)cyclooct-4-en-1-yl]ethanone
CID 58855645
2-[5-Methyl-4-(methylamino)-2-tritiocyclopent-2-en-1-yl]-1-tritioethanone
CID 60043910
2-[6-Methyl-5-(methylamino)-2-tritiocyclohex-2-en-1-yl]-1-tritioethanone
CID 60081690
tert-butyl N-[(1R,4Z,8S)-8-formylcyclooct-4-en-1-yl]carbamate
CID 87517465
(E)-N-[(3S)-3-formylheptan-4-yl]pent-3-enamide
CID 87815380
N-[(3S)-3-formylheptan-4-yl]pent-3-enamide
CID 91475765
1-[7-(Methylamino)cyclohept-2-en-1-yl]ethanone
CID 126609717
2-[4-(Methylamino)cyclohex-2-en-1-yl]acetaldehyde
CID 129229808
5-Cyclohex-2-en-1-yl-2,3,4-trimethyl-4-(methylamino)pentanal
CID 129270612
(5R,6S)-5-methyl-6-(methylamino)cyclohex-3-ene-1-carbaldehyde
CID 134334270

Frequently Asked Questions

What is the IUPAC name of (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde?
The IUPAC name of (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde (CID 153357949) is (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde.
What is the SMILES notation for (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde?
The canonical SMILES for (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde is CNC1CC/C=C\CCC1C=O.
What is the InChIKey of (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde?
The InChIKey is BUYBDPROTWJBSJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-10-7-5-3-2-4-6-9(10)8-12/h2-3,8-11H,4-7H2,1H3/b3-2-.
What are the key properties of (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde?
(4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde has a molecular weight of 167.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-(methylamino)cyclooct-4-ene-1-carbaldehyde is sourced from PubChem (CID 153357949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).