methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal

C9H17NO — CID 143834779

IUPACmethanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal
SMILESC/C=C\C(C=O)=C/CC.CN
InChIInChI=1S/C8H12O.CH5N/c1-3-5-8(7-9)6-4-2;1-2/h3,5-7H,4H2,1-2H3;2H2,1H3/b5-3-,8-6+;
InChIKeyFSCGIQPJWPZEBG-MQASBHRKSA-N
MW155.24 g/mol
LogP1.67
Rot. Bonds3

About methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal

methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal (PubChem CID 143834779) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal.

Molecular Properties

Compound Namemethanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal
PubChem CID143834779
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Namemethanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal
SMILESC/C=C\C(C=O)=C/CC.CN
InChIInChI=1S/C8H12O.CH5N/c1-3-5-8(7-9)6-4-2;1-2/h3,5-7H,4H2,1-2H3;2H2,1H3/b5-3-,8-6+;
InChIKeyFSCGIQPJWPZEBG-MQASBHRKSA-N
XLogP1.67
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal?
The IUPAC name of methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal (CID 143834779) is methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal.
What is the SMILES notation for methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal?
The canonical SMILES for methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal is C/C=C\C(C=O)=C/CC.CN.
What is the InChIKey of methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal?
The InChIKey is FSCGIQPJWPZEBG-MQASBHRKSA-N. The full InChI is InChI=1S/C8H12O.CH5N/c1-3-5-8(7-9)6-4-2;1-2/h3,5-7H,4H2,1-2H3;2H2,1H3/b5-3-,8-6+;.
What are the key properties of methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal?
methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal has a molecular weight of 155.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;(E)-2-[(Z)-prop-1-enyl]pent-2-enal is sourced from PubChem (CID 143834779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).