4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one

C10H14N2O — CID 144977444

IUPAC4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one
SMILESC/C=C\C1C(=O)NC=CC1/N=C/C
InChIInChI=1S/C10H14N2O/c1-3-5-8-9(11-4-2)6-7-12-10(8)13/h3-9H,1-2H3,(H,12,13)/b5-3-,11-4+
InChIKeyVROCEBWCZIPZBI-DVJFJSKXSA-N
MW178.23 g/mol
LogP1.28
Rot. Bonds2

About 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one

4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one (PubChem CID 144977444) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one
PubChem CID144977444
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one
SMILESC/C=C\C1C(=O)NC=CC1/N=C/C
InChIInChI=1S/C10H14N2O/c1-3-5-8-9(11-4-2)6-7-12-10(8)13/h3-9H,1-2H3,(H,12,13)/b5-3-,11-4+
InChIKeyVROCEBWCZIPZBI-DVJFJSKXSA-N
XLogP1.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6,8a-dihydro-4aH-1,6-naphthyridin-5-one
CID 134912740
N-propan-2-yl-3,4-dihydropyridine-3-carboxamide
CID 69528979
3-methyl-3,8a-dihydro-2H-2,6-naphthyridin-1-one
CID 123271470
N,2,4-trimethyl-2,3-dihydropyridine-3-carboxamide
CID 142012598
(8aR)-7-methyl-6,8a-dihydro-4aH-1,6-naphthyridin-5-one
CID 164042030

Frequently Asked Questions

What is the IUPAC name of 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one (CID 144977444) is 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one is C/C=C\C1C(=O)NC=CC1/N=C/C.
What is the InChIKey of 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is VROCEBWCZIPZBI-DVJFJSKXSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-5-8-9(11-4-2)6-7-12-10(8)13/h3-9H,1-2H3,(H,12,13)/b5-3-,11-4+.
What are the key properties of 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one?
4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylideneamino)-3-[(Z)-prop-1-enyl]-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 144977444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).