1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde

C14H16O — CID 117047084

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C14H16O/c15-10-14(7-8-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8H2
InChIKeyJGKCQDXPIDXXKP-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.80
Rot. Bonds2

About 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde

1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde (PubChem CID 117047084) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
PubChem CID117047084
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C14H16O/c15-10-14(7-8-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8H2
InChIKeyJGKCQDXPIDXXKP-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)cyclopropane-1-carbaldehyde
CID 83683025
1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde
CID 22722131
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(3,4-difluorophenyl)cyclohexane-1-carbaldehyde
CID 86614756
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde
CID 105488768
ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 143873127
[1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanol
CID 116963428
1-(7-hydroxynaphthalen-2-yl)cyclobutane-1-carbaldehyde
CID 105483878
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
[1-(2,3-dihydro-1H-inden-5-yl)cyclobutyl]methanol
CID 83686763

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde (CID 117047084) is 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde is O=CC1(c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
The InChIKey is JGKCQDXPIDXXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c15-10-14(7-8-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-6,9-10H,1-4,7-8H2.
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde has a molecular weight of 200.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 117047084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).