(Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal

C9H15NO — CID 13163937

IUPAC(Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)C1CCC1
InChIInChI=1S/C9H15NO/c1-10(2)6-9(7-11)8-4-3-5-8/h6-8H,3-5H2,1-2H3/b9-6+
InChIKeyOHKQHOODCCFJFG-RMKNXTFCSA-N
MW153.22 g/mol
LogP1.43
Rot. Bonds3

About (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal

(Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal (PubChem CID 13163937) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal
PubChem CID13163937
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(\C=O)C1CCC1
InChIInChI=1S/C9H15NO/c1-10(2)6-9(7-11)8-4-3-5-8/h6-8H,3-5H2,1-2H3/b9-6+
InChIKeyOHKQHOODCCFJFG-RMKNXTFCSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal?
The IUPAC name of (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal (CID 13163937) is (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal.
What is the SMILES notation for (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal?
The canonical SMILES for (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal is CN(C)/C=C(\C=O)C1CCC1.
What is the InChIKey of (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal?
The InChIKey is OHKQHOODCCFJFG-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)6-9(7-11)8-4-3-5-8/h6-8H,3-5H2,1-2H3/b9-6+.
What are the key properties of (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal?
(Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal has a molecular weight of 153.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyclobutyl-3-(dimethylamino)prop-2-enal is sourced from PubChem (CID 13163937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).