(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol

C18H19NO — CID 153344724

IUPAC(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol
SMILESC=C(O)/C(N)=c1\c(=C)c2ccccc2c(=C/C)/c1=C\C
InChIInChI=1S/C18H19NO/c1-5-13-14(6-2)17(18(19)12(4)20)11(3)15-9-7-8-10-16(13)15/h5-10,20H,3-4,19H2,1-2H3/b13-5+,14-6+,18-17-
InChIKeyHLRQODBWCUCXAM-NFNYSQBBSA-N
MW265.36 g/mol
LogP0.99
Rot. Bonds1

About (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol

(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol (PubChem CID 153344724) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol.

Molecular Properties

Compound Name(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol
PubChem CID153344724
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol
SMILESC=C(O)/C(N)=c1\c(=C)c2ccccc2c(=C/C)/c1=C\C
InChIInChI=1S/C18H19NO/c1-5-13-14(6-2)17(18(19)12(4)20)11(3)15-9-7-8-10-16(13)15/h5-10,20H,3-4,19H2,1-2H3/b13-5+,14-6+,18-17-
InChIKeyHLRQODBWCUCXAM-NFNYSQBBSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol?
The IUPAC name of (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol (CID 153344724) is (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol.
What is the SMILES notation for (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol?
The canonical SMILES for (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol is C=C(O)/C(N)=c1\c(=C)c2ccccc2c(=C/C)/c1=C\C.
What is the InChIKey of (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol?
The InChIKey is HLRQODBWCUCXAM-NFNYSQBBSA-N. The full InChI is InChI=1S/C18H19NO/c1-5-13-14(6-2)17(18(19)12(4)20)11(3)15-9-7-8-10-16(13)15/h5-10,20H,3-4,19H2,1-2H3/b13-5+,14-6+,18-17-.
What are the key properties of (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol?
(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol has a molecular weight of 265.36 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol is sourced from PubChem (CID 153344724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).