N-phenyl-3-prop-1-en-2-ylisochromen-1-imine

C18H15NO — CID 146166664

IUPACN-phenyl-3-prop-1-en-2-ylisochromen-1-imine
SMILESC=C(C)c1cc2ccccc2/c(=N/c2ccccc2)o1
InChIInChI=1S/C18H15NO/c1-13(2)17-12-14-8-6-7-11-16(14)18(20-17)19-15-9-4-3-5-10-15/h3-12H,1H2,2H3/b19-18-
InChIKeyRBXJACPYEAIROI-HNENSFHCSA-N
MW261.32 g/mol
LogP4.70
Rot. Bonds2

About N-phenyl-3-prop-1-en-2-ylisochromen-1-imine

N-phenyl-3-prop-1-en-2-ylisochromen-1-imine (PubChem CID 146166664) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is N-phenyl-3-prop-1-en-2-ylisochromen-1-imine.

Molecular Properties

Compound NameN-phenyl-3-prop-1-en-2-ylisochromen-1-imine
PubChem CID146166664
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC NameN-phenyl-3-prop-1-en-2-ylisochromen-1-imine
SMILESC=C(C)c1cc2ccccc2/c(=N/c2ccccc2)o1
InChIInChI=1S/C18H15NO/c1-13(2)17-12-14-8-6-7-11-16(14)18(20-17)19-15-9-4-3-5-10-15/h3-12H,1H2,2H3/b19-18-
InChIKeyRBXJACPYEAIROI-HNENSFHCSA-N
XLogP4.70
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methylphenyl)-3-phenylisochromen-1-imine
CID 44623219
N-methyl-2-phenyliminochromene-3-carboxamide
CID 826595
N,3-diphenylchromen-2-imine
CID 135029902
1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine
CID 18718620
ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
3-phenyldiazenylnaphthalen-1-amine
CID 156686979
chrysene;2-methylprop-1-ene
CID 173244266
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
9-methylanthracene;naphthalene
CID 142881908
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
copper bis(3-carboxy-1-phenyldiazenylnaphthalen-2-olate)
CID 175731451
3-(benzenesulfonyl)-N-phenylchromen-2-imine
CID 6622390

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-prop-1-en-2-ylisochromen-1-imine?
The IUPAC name of N-phenyl-3-prop-1-en-2-ylisochromen-1-imine (CID 146166664) is N-phenyl-3-prop-1-en-2-ylisochromen-1-imine.
What is the SMILES notation for N-phenyl-3-prop-1-en-2-ylisochromen-1-imine?
The canonical SMILES for N-phenyl-3-prop-1-en-2-ylisochromen-1-imine is C=C(C)c1cc2ccccc2/c(=N/c2ccccc2)o1.
What is the InChIKey of N-phenyl-3-prop-1-en-2-ylisochromen-1-imine?
The InChIKey is RBXJACPYEAIROI-HNENSFHCSA-N. The full InChI is InChI=1S/C18H15NO/c1-13(2)17-12-14-8-6-7-11-16(14)18(20-17)19-15-9-4-3-5-10-15/h3-12H,1H2,2H3/b19-18-.
What are the key properties of N-phenyl-3-prop-1-en-2-ylisochromen-1-imine?
N-phenyl-3-prop-1-en-2-ylisochromen-1-imine has a molecular weight of 261.32 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-prop-1-en-2-ylisochromen-1-imine is sourced from PubChem (CID 146166664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).