1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde

C8H13NO — CID 115011343

IUPAC1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde
SMILESO=CC1(N2CCCC2)CC1
InChIInChI=1S/C8H13NO/c10-7-8(3-4-8)9-5-1-2-6-9/h7H,1-6H2
InChIKeyFBHQXSGIZDVHND-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.81
Rot. Bonds2

About 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde

1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde (PubChem CID 115011343) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde
PubChem CID115011343
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde
SMILESO=CC1(N2CCCC2)CC1
InChIInChI=1S/C8H13NO/c10-7-8(3-4-8)9-5-1-2-6-9/h7H,1-6H2
InChIKeyFBHQXSGIZDVHND-UHFFFAOYSA-N
XLogP0.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.81
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

2-Methyl-2-(pyrrolidin-1-yl)propanal
CID 53867504
2-[(3S)-3-fluoropyrrolidin-1-yl]-2-methylpropanal
CID 135240431
2-(3-Fluoropyrrolidin-1-yl)-2-methylpropanal
CID 146225301
2-[(3R)-3-fluoropyrrolidin-1-yl]-2-methylpropanal
CID 146225321
2-Pyrrolidin-1-ylbutanal
CID 19968991
(2S)-1-(1-methylcyclopropyl)pyrrolidine-2-carbaldehyde
CID 88908677
1-(Cyclopropylmethyl)pyrrolidine-2-carbaldehyde
CID 102567890
1-[Ethyl(methyl)amino]cyclopropane-1-carbaldehyde
CID 156848260
(2S)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde
CID 99981966
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde
CID 99981969
2-Methyl-2-pyrrolidin-1-ylbutanal
CID 130591087

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde?
The IUPAC name of 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde (CID 115011343) is 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde is O=CC1(N2CCCC2)CC1.
What is the InChIKey of 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde?
The InChIKey is FBHQXSGIZDVHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c10-7-8(3-4-8)9-5-1-2-6-9/h7H,1-6H2.
What are the key properties of 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde?
1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde has a molecular weight of 139.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 115011343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).