1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde

C14H11ClO — CID 105488768

IUPAC1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccc3ccc(Cl)cc3c2)CC1
InChIInChI=1S/C14H11ClO/c15-13-4-2-10-1-3-12(7-11(10)8-13)14(9-16)5-6-14/h1-4,7-9H,5-6H2
InChIKeyDMLWGRMMJMUJPU-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.72
Rot. Bonds2

About 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde

1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde (PubChem CID 105488768) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde
PubChem CID105488768
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccc3ccc(Cl)cc3c2)CC1
InChIInChI=1S/C14H11ClO/c15-13-4-2-10-1-3-12(7-11(10)8-13)14(9-16)5-6-14/h1-4,7-9H,5-6H2
InChIKeyDMLWGRMMJMUJPU-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde (CID 105488768) is 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde is O=CC1(c2ccc3ccc(Cl)cc3c2)CC1.
What is the InChIKey of 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
The InChIKey is DMLWGRMMJMUJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c15-13-4-2-10-1-3-12(7-11(10)8-13)14(9-16)5-6-14/h1-4,7-9H,5-6H2.
What are the key properties of 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde?
1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde has a molecular weight of 230.69 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 105488768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).