1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile

C15H18N2O — CID 43802963

IUPAC1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCc2ccccc21
InChIInChI=1S/C15H18N2O/c16-12-15(17-8-10-18-11-9-17)7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6H,3,5,7-11H2
InChIKeyIMMSWVURACGLTN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.07
Rot. Bonds1

About 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile

1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile (PubChem CID 43802963) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile.

Molecular Properties

Compound Name1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile
PubChem CID43802963
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCc2ccccc21
InChIInChI=1S/C15H18N2O/c16-12-15(17-8-10-18-11-9-17)7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6H,3,5,7-11H2
InChIKeyIMMSWVURACGLTN-UHFFFAOYSA-N
XLogP2.07
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile
CID 116531861
1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid
CID 43803284
9-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82249833
9-chloro-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82248577
2-(1-morpholin-4-yl-2,3-dihydroinden-1-yl)acetic acid
CID 64528521
(1R)-1-trimethylsilyloxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 11311149
1-(butan-2-ylamino)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 54908045
1-anilino-2,3-dihydroindene-1-carbonitrile
CID 12740114
1-(1-hydroxycyclopentyl)-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79130898
9-propan-2-yl-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82249744
9-methoxy-5-pyrrolidin-1-yl-3,4-dihydro-2H-1-benzoxepine-5-carbonitrile
CID 82247678
1-[hydroxy(oxolan-3-yl)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79136549

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The IUPAC name of 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile (CID 43802963) is 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile.
What is the SMILES notation for 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The canonical SMILES for 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile is N#CC1(N2CCOCC2)CCCc2ccccc21.
What is the InChIKey of 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile?
The InChIKey is IMMSWVURACGLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-12-15(17-8-10-18-11-9-17)7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6H,3,5,7-11H2.
What are the key properties of 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile?
1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile is sourced from PubChem (CID 43802963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).