1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile

C14H15N — CID 18975701

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(C2CCCc3ccccc32)CC1
InChIInChI=1S/C14H15N/c15-10-14(8-9-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-9H2
InChIKeyKGPFQKYHMMBYAZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.41
Rot. Bonds1

About 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile

1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile (PubChem CID 18975701) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile
PubChem CID18975701
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(C2CCCc3ccccc32)CC1
InChIInChI=1S/C14H15N/c15-10-14(8-9-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-9H2
InChIKeyKGPFQKYHMMBYAZ-UHFFFAOYSA-N
XLogP3.41
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-phenylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 173460746
1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide
CID 78994938
CID 59863888
CID 59863888
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethenone
CID 154243339
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
(1R,3aR)-1-hydroxy-2,3,4,5-tetrahydro-1H-acenaphthylene-3a-carbonitrile
CID 124707800
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbonitrile
CID 14091111
1-[cycloheptyl(hydroxy)methyl]-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79124090
1-phenylselanyl-1,2,3,4-tetrahydronaphthalene
CID 10613263
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
(5R,6R)-5,6-dibromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 10881240

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile (CID 18975701) is 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile is N#CC1(C2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile?
The InChIKey is KGPFQKYHMMBYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c15-10-14(8-9-14)13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,13H,3,5,7-9H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile?
1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile has a molecular weight of 197.28 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 18975701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).