(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde

C9H15NO — CID 99981969

IUPAC(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde
SMILESO=C[C@H]1CCCN1CC1CC1
InChIInChI=1S/C9H15NO/c11-7-9-2-1-5-10(9)6-8-3-4-8/h7-9H,1-6H2/t9-/m1/s1
InChIKeyKVCDDTKPDHOGQT-SECBINFHSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds3

About (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde

(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde (PubChem CID 99981969) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde
PubChem CID99981969
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde
SMILESO=C[C@H]1CCCN1CC1CC1
InChIInChI=1S/C9H15NO/c11-7-9-2-1-5-10(9)6-8-3-4-8/h7-9H,1-6H2/t9-/m1/s1
InChIKeyKVCDDTKPDHOGQT-SECBINFHSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
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 (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde (CID 99981969) is (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde is O=C[C@H]1CCCN1CC1CC1.
What is the InChIKey of (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde?
The InChIKey is KVCDDTKPDHOGQT-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO/c11-7-9-2-1-5-10(9)6-8-3-4-8/h7-9H,1-6H2/t9-/m1/s1.
What are the key properties of (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde?
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde has a molecular weight of 153.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 99981969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).