2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde

C9H15NO — CID 175086713

IUPAC2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde
SMILESCC1=C(N(C)C)C(C=O)CC1
InChIInChI=1S/C9H15NO/c1-7-4-5-8(6-11)9(7)10(2)3/h6,8H,4-5H2,1-3H3
InChIKeyBGFWMYSPOZFISJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.43
Rot. Bonds2

About 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde

2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde (PubChem CID 175086713) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde
PubChem CID175086713
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde
SMILESCC1=C(N(C)C)C(C=O)CC1
InChIInChI=1S/C9H15NO/c1-7-4-5-8(6-11)9(7)10(2)3/h6,8H,4-5H2,1-3H3
InChIKeyBGFWMYSPOZFISJ-UHFFFAOYSA-N
XLogP1.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3,4-dihydro-2H-pyrrole-4-carbaldehyde
CID 91110980
10,11,11-trimethyl-5-oxobicyclo[5.3.1]undec-1(10)-ene-4-carbaldehyde
CID 134922617
(3S)-tricyclo[5.2.1.02,6]deca-1,6,8-triene-3-carbaldehyde
CID 155093037
2,3,6-trimethylcyclohex-2-ene-1-carbaldehyde
CID 87129296
6-(dimethylamino)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 105455582
2-methyl-4,5,6,7-tetrahydro-1H-indole-4-carbaldehyde
CID 142750657
3-bromo-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde
CID 71604756
2-methylcyclohex-2-ene-1-carbaldehyde
CID 15178761
cyclopropyl-[2-methyl-5-(2-methylprop-1-enyl)cyclopenten-1-yl]methanone
CID 135067667
4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde
CID 175292583
4-methylidenecyclohexane-1-carbaldehyde
CID 15818136
2-bromo-3-butylcyclopent-2-ene-1-carbaldehyde
CID 174498633

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde (CID 175086713) is 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde is CC1=C(N(C)C)C(C=O)CC1.
What is the InChIKey of 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde?
The InChIKey is BGFWMYSPOZFISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-5-8(6-11)9(7)10(2)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde?
2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde has a molecular weight of 153.22 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-3-methylcyclopent-2-ene-1-carbaldehyde is sourced from PubChem (CID 175086713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).