(E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal

C8H13NO — CID 134893715

IUPAC(E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(/C=O)C1CC1
InChIInChI=1S/C8H13NO/c1-9(2)5-8(6-10)7-3-4-7/h5-7H,3-4H2,1-2H3/b8-5-
InChIKeyXBTLADNEBCHHTD-YVMONPNESA-N
MW139.20 g/mol
LogP1.04
Rot. Bonds3

About (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal

(E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal (PubChem CID 134893715) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal.

Molecular Properties

Compound Name(E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal
PubChem CID134893715
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal
SMILESCN(C)/C=C(/C=O)C1CC1
InChIInChI=1S/C8H13NO/c1-9(2)5-8(6-10)7-3-4-7/h5-7H,3-4H2,1-2H3/b8-5-
InChIKeyXBTLADNEBCHHTD-YVMONPNESA-N
XLogP1.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.04
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 (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal?
The IUPAC name of (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal (CID 134893715) is (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal.
What is the SMILES notation for (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal?
The canonical SMILES for (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal is CN(C)/C=C(/C=O)C1CC1.
What is the InChIKey of (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal?
The InChIKey is XBTLADNEBCHHTD-YVMONPNESA-N. The full InChI is InChI=1S/C8H13NO/c1-9(2)5-8(6-10)7-3-4-7/h5-7H,3-4H2,1-2H3/b8-5-.
What are the key properties of (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal?
(E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal has a molecular weight of 139.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclopropyl-3-(dimethylamino)prop-2-enal is sourced from PubChem (CID 134893715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).