7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile

C15H18N2O — CID 79247587

IUPAC7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC=CCNC1(C#N)CCCc2ccc(OC)cc21
InChIInChI=1S/C15H18N2O/c1-3-9-17-15(11-16)8-4-5-12-6-7-13(18-2)10-14(12)15/h3,6-7,10,17H,1,4-5,8-9H2,2H3
InChIKeyHRSCIMWCDISPNI-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.53
Rot. Bonds4

About 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile

7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 79247587) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID79247587
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESC=CCNC1(C#N)CCCc2ccc(OC)cc21
InChIInChI=1S/C15H18N2O/c1-3-9-17-15(11-16)8-4-5-12-6-7-13(18-2)10-14(12)15/h3,6-7,10,17H,1,4-5,8-9H2,2H3
InChIKeyHRSCIMWCDISPNI-UHFFFAOYSA-N
XLogP2.53
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 79247587) is 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile is C=CCNC1(C#N)CCCc2ccc(OC)cc21.
What is the InChIKey of 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is HRSCIMWCDISPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-9-17-15(11-16)8-4-5-12-6-7-13(18-2)10-14(12)15/h3,6-7,10,17H,1,4-5,8-9H2,2H3.
What are the key properties of 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile?
7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(prop-2-enylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 79247587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).