methanamine;1H-pyrrole-2-carbaldehyde

C6H10N2O — CID 172737516

IUPACmethanamine;1H-pyrrole-2-carbaldehyde
SMILESCN.O=Cc1ccc[nH]1
InChIInChI=1S/C5H5NO.CH5N/c7-4-5-2-1-3-6-5;1-2/h1-4,6H;2H2,1H3
InChIKeyIQJLPOUODGGRFZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.40
Rot. Bonds1

About methanamine;1H-pyrrole-2-carbaldehyde

methanamine;1H-pyrrole-2-carbaldehyde (PubChem CID 172737516) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is methanamine;1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Namemethanamine;1H-pyrrole-2-carbaldehyde
PubChem CID172737516
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Namemethanamine;1H-pyrrole-2-carbaldehyde
SMILESCN.O=Cc1ccc[nH]1
InChIInChI=1S/C5H5NO.CH5N/c7-4-5-2-1-3-6-5;1-2/h1-4,6H;2H2,1H3
InChIKeyIQJLPOUODGGRFZ-UHFFFAOYSA-N
XLogP0.40
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;1H-pyrrole-2-carbaldehyde
CID 142199801
ethoxyethane;1H-pyrrole-2-carbaldehyde
CID 174491335
1-chloro-2-methoxyethane;1H-pyrrole-2-carbaldehyde
CID 160756394
1H-pyrrole-2-carbaldehyde;2-(1H-pyrrol-2-ylmethylideneamino)ethanamine
CID 175241696
2-[2-(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
CID 67418156
3-(1,2-diaminoethyl)-1H-pyrrole-2-carbaldehyde;manganese;1H-pyrrole-2-carbaldehyde
CID 87429709
dimethyl(1H-pyrrol-2-ylmethylidene)azanium
CID 12676266
tert-butyl piperidine-1-carboxylate;1H-pyrrole-2-carbaldehyde
CID 175496203
2-[(Z)-2-methylsulfonylethenyl]-1H-pyrrole
CID 92857176
1-(1H-pyrrol-2-yl)-N-[4-(1H-pyrrol-2-ylmethylideneamino)phenyl]methanimine
CID 695477
(2Z)-4,4-dimethyl-2-(1H-pyrrol-2-ylmethylidene)-3H-pyrrole-5-carbaldehyde
CID 134275576
methyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
CID 135644237

Frequently Asked Questions

What is the IUPAC name of methanamine;1H-pyrrole-2-carbaldehyde?
The IUPAC name of methanamine;1H-pyrrole-2-carbaldehyde (CID 172737516) is methanamine;1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for methanamine;1H-pyrrole-2-carbaldehyde?
The canonical SMILES for methanamine;1H-pyrrole-2-carbaldehyde is CN.O=Cc1ccc[nH]1.
What is the InChIKey of methanamine;1H-pyrrole-2-carbaldehyde?
The InChIKey is IQJLPOUODGGRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.CH5N/c7-4-5-2-1-3-6-5;1-2/h1-4,6H;2H2,1H3.
What are the key properties of methanamine;1H-pyrrole-2-carbaldehyde?
methanamine;1H-pyrrole-2-carbaldehyde has a molecular weight of 126.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 172737516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).