(3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one

C8H11NO2 — CID 101227036

IUPAC(3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one
SMILESC=CCN/C=C1/CCOC1=O
InChIInChI=1S/C8H11NO2/c1-2-4-9-6-7-3-5-11-8(7)10/h2,6,9H,1,3-5H2/b7-6-
InChIKeyBAKGUZSVIYOUOD-SREVYHEPSA-N
MW153.18 g/mol
LogP0.59
Rot. Bonds3

About (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one

(3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one (PubChem CID 101227036) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one.

Molecular Properties

Compound Name(3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one
PubChem CID101227036
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one
SMILESC=CCN/C=C1/CCOC1=O
InChIInChI=1S/C8H11NO2/c1-2-4-9-6-7-3-5-11-8(7)10/h2,6,9H,1,3-5H2/b7-6-
InChIKeyBAKGUZSVIYOUOD-SREVYHEPSA-N
XLogP0.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-[[3-[[(Z)-(2-oxooxolan-3-ylidene)methyl]amino]propylamino]methylidene]oxolan-2-one
CID 98526551
(3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one
CID 70961098
(3Z)-3-[[(2R)-oxiran-2-yl]methylidene]oxolan-2-one
CID 98527884
3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one
CID 4183072
(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one
CID 101127578
(3E)-3-[(4-methylphenyl)methylidene]oxolan-2-one
CID 6071028
(3E)-3-(4-cyclopropyl-4-oxobutylidene)oxolan-2-one
CID 11446867
(3Z)-3-decylideneoxolan-2-one
CID 13315995
2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine
CID 46785860
(3Z)-3-(azidomethylidene)oxolan-2-one
CID 6157577
(3E)-3-[(2,6-dichlorophenyl)methylidene]oxolan-2-one
CID 171376642
3-(5-methylhexa-2,4-dienylidene)oxolan-2-one
CID 162816081

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one?
The IUPAC name of (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one (CID 101227036) is (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one.
What is the SMILES notation for (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one?
The canonical SMILES for (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one is C=CCN/C=C1/CCOC1=O.
What is the InChIKey of (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one?
The InChIKey is BAKGUZSVIYOUOD-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-4-9-6-7-3-5-11-8(7)10/h2,6,9H,1,3-5H2/b7-6-.
What are the key properties of (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one?
(3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one has a molecular weight of 153.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(prop-2-enylamino)methylidene]oxolan-2-one is sourced from PubChem (CID 101227036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).