3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde

C15H12O — CID 102097914

IUPAC3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde
SMILESCC1=C(C=O)Cc2cc3ccccc3cc21
InChIInChI=1S/C15H12O/c1-10-14(9-16)7-13-6-11-4-2-3-5-12(11)8-15(10)13/h2-6,8-9H,7H2,1H3
InChIKeyVYBGFMVZDCIFAQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.37
Rot. Bonds1

About 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde

3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde (PubChem CID 102097914) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde
PubChem CID102097914
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde
SMILESCC1=C(C=O)Cc2cc3ccccc3cc21
InChIInChI=1S/C15H12O/c1-10-14(9-16)7-13-6-11-4-2-3-5-12(11)8-15(10)13/h2-6,8-9H,7H2,1H3
InChIKeyVYBGFMVZDCIFAQ-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.37
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

3-trimethylsilyloxy-1H-cyclopenta[b]naphthalene-2-carbaldehyde
CID 155663312
2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene
CID 58536043
nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194
hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
CID 58250867
7-bromo-1-methyl-3,4-dihydronaphthalene-2-carbaldehyde
CID 115057503
3,4-dimethyl-11H-benzo[b]fluorene
CID 159162608
1H-cyclopropa[b]naphthalene;ethane
CID 144907572
3-(2,3-dimethylcyclopenta-1,3-dien-1-yl)naphthalene-2-carbaldehyde
CID 23015780
3-methyl-2H-anthracen-1-one
CID 141307258
1-methyl-6-phenylmethoxy-3,4-dihydronaphthalene-2-carbaldehyde
CID 23121517
2-chloro-4H-anthracene-1,3-dione
CID 18401951
3-chloro-1,4-dihydronaphthalene-2-carbaldehyde
CID 130026285

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde?
The IUPAC name of 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde (CID 102097914) is 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde.
What is the SMILES notation for 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde?
The canonical SMILES for 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde is CC1=C(C=O)Cc2cc3ccccc3cc21.
What is the InChIKey of 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde?
The InChIKey is VYBGFMVZDCIFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c1-10-14(9-16)7-13-6-11-4-2-3-5-12(11)8-15(10)13/h2-6,8-9H,7H2,1H3.
What are the key properties of 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde?
3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-cyclopenta[b]naphthalene-2-carbaldehyde is sourced from PubChem (CID 102097914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).