1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde

C6H9NO — CID 123460856

IUPAC1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde
SMILESC=C1CC1(C=O)NC
InChIInChI=1S/C6H9NO/c1-5-3-6(5,4-8)7-2/h4,7H,1,3H2,2H3
InChIKeyASUUCSIKEZVVDF-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.10
Rot. Bonds2

About 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde

1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde (PubChem CID 123460856) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde
PubChem CID123460856
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde
SMILESC=C1CC1(C=O)NC
InChIInChI=1S/C6H9NO/c1-5-3-6(5,4-8)7-2/h4,7H,1,3H2,2H3
InChIKeyASUUCSIKEZVVDF-UHFFFAOYSA-N
XLogP0.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.10
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

(2E)-1-ethenyl-N-methyl-2-prop-2-enylidenecyclopropan-1-amine
CID 163948472
1,2,2-tris(methylamino)cyclopropane-1-carbaldehyde
CID 174408581
(1R)-1-methyl-6-methylidenecyclohex-3-ene-1-carbaldehyde
CID 149268097
3-ethenyl-1,2,2-trimethylcyclopentane-1-carbaldehyde
CID 130035342
1-[(1R,2S)-2-ethenyl-1-(methylamino)cyclopropyl]ethanone
CID 59493438
(3aR,6aR)-5-(2-hydroxyethoxy)-5-methyl-6a-(methylamino)-3,3a,4,6-tetrahydro-1H-pentalen-2-one
CID 153041034
1,7,7-trimethyl-5-methylidenebicyclo[2.2.1]heptan-2-one
CID 71400479
cis-(1S,3S)-1,3-dimethyl-4-oxocyclopentane-1-carbaldehyde
CID 99995687
5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbaldehyde
CID 529648
1,1-dimethoxy-2-methylidenecyclopropane
CID 15683576
1,3,6-trimethyl-6-(methylamino)-5-oxo-2,7-dihydro-1H-pyrazolo[1,2-a]pyrazole-3-carbaldehyde
CID 18722003
methyl (1R,3aS,4S,7aS)-1-formyl-1,4,7a-trimethyl-3-methylidene-5-oxo-2,3a-dihydroindene-4-carboxylate
CID 134948200

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde?
The IUPAC name of 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde (CID 123460856) is 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde is C=C1CC1(C=O)NC.
What is the InChIKey of 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde?
The InChIKey is ASUUCSIKEZVVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-3-6(5,4-8)7-2/h4,7H,1,3H2,2H3.
What are the key properties of 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde?
1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde has a molecular weight of 111.14 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-methylidenecyclopropane-1-carbaldehyde is sourced from PubChem (CID 123460856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).