2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde

C8H12N2O — CID 116908648

IUPAC2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde
SMILESCN(C)C(C=O)c1ccc[nH]1
InChIInChI=1S/C8H12N2O/c1-10(2)8(6-11)7-4-3-5-9-7/h3-6,8-9H,1-2H3
InChIKeyKBZFQJHVBWIWMH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.82
Rot. Bonds3

About 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde

2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde (PubChem CID 116908648) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde
PubChem CID116908648
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde
SMILESCN(C)C(C=O)c1ccc[nH]1
InChIInChI=1S/C8H12N2O/c1-10(2)8(6-11)7-4-3-5-9-7/h3-6,8-9H,1-2H3
InChIKeyKBZFQJHVBWIWMH-UHFFFAOYSA-N
XLogP0.82
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.82
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

(E)-4-(dimethylamino)-4-(1H-pyrrol-2-yl)but-2-enoic acid
CID 116910754
3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoic acid
CID 116907990
2-amino-N,N-dimethyl-2-(1H-pyrrol-2-yl)acetamide
CID 116850119
2-(dimethylamino)-2-(1H-pyrrol-2-yl)ethanethioamide
CID 84758225
2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde
CID 90095645
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetaldehyde
CID 123528340
2-(dimethylamino)-2-(4-phenylphenyl)acetaldehyde
CID 116908630
2-(1-iodoethyl)-1H-pyrrole
CID 152827752
3-(dimethylamino)-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 116910428
1,1-dimethyl-3-[1-(1H-pyrrol-2-yl)ethyl]urea
CID 130621343
N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
CID 116905151
4-(dimethylamino)-4-(1H-pyrrol-2-yl)butanenitrile
CID 116910082

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde?
The IUPAC name of 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde (CID 116908648) is 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde.
What is the SMILES notation for 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde?
The canonical SMILES for 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde is CN(C)C(C=O)c1ccc[nH]1.
What is the InChIKey of 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde?
The InChIKey is KBZFQJHVBWIWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-10(2)8(6-11)7-4-3-5-9-7/h3-6,8-9H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde?
2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde has a molecular weight of 152.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(1H-pyrrol-2-yl)acetaldehyde is sourced from PubChem (CID 116908648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).