2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde

C9H11NO — CID 6429126

IUPAC2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde
SMILESCc1cc2n(c1C=O)CCC2
InChIInChI=1S/C9H11NO/c1-7-5-8-3-2-4-10(8)9(7)6-11/h5-6H,2-4H2,1H3
InChIKeyNWFQKPJYEJRQRI-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.56
Rot. Bonds1

About 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde

2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde (PubChem CID 6429126) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde
PubChem CID6429126
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde
SMILESCc1cc2n(c1C=O)CCC2
InChIInChI=1S/C9H11NO/c1-7-5-8-3-2-4-10(8)9(7)6-11/h5-6H,2-4H2,1H3
InChIKeyNWFQKPJYEJRQRI-UHFFFAOYSA-N
XLogP1.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde?
The IUPAC name of 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde (CID 6429126) is 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde is Cc1cc2n(c1C=O)CCC2.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde?
The InChIKey is NWFQKPJYEJRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-7-5-8-3-2-4-10(8)9(7)6-11/h5-6H,2-4H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde?
2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde has a molecular weight of 149.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-pyrrolizine-3-carbaldehyde is sourced from PubChem (CID 6429126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).