2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene

C16H21N2O2P — CID 156647105

IUPAC2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene
SMILESC=CC.[H]/P=C1\c2ccccc2C(=O)N1OC1CC(NC)C1
InChIInChI=1S/C13H15N2O2P.C3H6/c1-14-8-6-9(7-8)17-15-12(16)10-4-2-3-5-11(10)13(15)18;1-3-2/h2-5,8-9,14,18H,6-7H2,1H3;3H,1H2,2H3
InChIKeyHNEDNLUJUJXCCX-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.64
Rot. Bonds3

About 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene

2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene (PubChem CID 156647105) has the molecular formula C16H21N2O2P and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene.

Molecular Properties

Compound Name2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene
PubChem CID156647105
Molecular FormulaC16H21N2O2P
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene
SMILESC=CC.[H]/P=C1\c2ccccc2C(=O)N1OC1CC(NC)C1
InChIInChI=1S/C13H15N2O2P.C3H6/c1-14-8-6-9(7-8)17-15-12(16)10-4-2-3-5-11(10)13(15)18;1-3-2/h2-5,8-9,14,18H,6-7H2,1H3;3H,1H2,2H3
InChIKeyHNEDNLUJUJXCCX-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-phosphanylideneisoindol-1-one
CID 142838766
2-prop-1-enoxyisoindole-1,3-dione
CID 158403520
2-ethenylisoindole-1,3-dione
CID 175832384
2-tridec-1-en-4-yloxyisoindole-1,3-dione
CID 72701710
2-[1-(2,6-dichlorophenyl)ethoxy]isoindole-1,3-dione
CID 54043432
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione
CID 10826510
3-O-(1,3-dioxoisoindol-2-yl) 1-O-methyl cyclopentane-1,3-dicarboxylate
CID 162341751
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
2-aminooxyisoindole-1,3-dione
CID 89054763
azane;2-(3-methoxycyclobutyl)isoindole-1,3-dione
CID 138706686
2-pentadec-14-enylisoindole-1,3-dione
CID 140882474
2-amino-3H-isoindol-1-one;prop-1-ene
CID 177026284

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene?
The IUPAC name of 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene (CID 156647105) is 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene.
What is the SMILES notation for 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene?
The canonical SMILES for 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene is C=CC.[H]/P=C1\c2ccccc2C(=O)N1OC1CC(NC)C1.
What is the InChIKey of 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene?
The InChIKey is HNEDNLUJUJXCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2O2P.C3H6/c1-14-8-6-9(7-8)17-15-12(16)10-4-2-3-5-11(10)13(15)18;1-3-2/h2-5,8-9,14,18H,6-7H2,1H3;3H,1H2,2H3.
What are the key properties of 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene?
2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene has a molecular weight of 304.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)cyclobutyl]oxy-3-phosphanylideneisoindol-1-one;prop-1-ene is sourced from PubChem (CID 156647105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).