[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate

C14H17NO2 — CID 58276056

IUPAC[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate
SMILESCCC(=O)O/N=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C14H17NO2/c1-3-14(16)17-15-13-6-4-5-11-9-10(2)7-8-12(11)13/h7-9H,3-6H2,1-2H3/b15-13+
InChIKeyOVZXAFLMNNQYEP-FYWRMAATSA-N
MW231.29 g/mol
LogP2.99
Rot. Bonds2

About [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate

[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate (PubChem CID 58276056) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate.

Molecular Properties

Compound Name[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate
PubChem CID58276056
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate
SMILESCCC(=O)O/N=C1\CCCc2cc(C)ccc21
InChIInChI=1S/C14H17NO2/c1-3-14(16)17-15-13-6-4-5-11-9-10(2)7-8-12(11)13/h7-9H,3-6H2,1-2H3/b15-13+
InChIKeyOVZXAFLMNNQYEP-FYWRMAATSA-N
XLogP2.99
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(5-methyl-2,3-dihydroinden-1-ylidene)amino] acetate
CID 58276078
N-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 139781117
5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 23561339
N-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 162286968
N-benzyl-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 58410610
4-(dimethoxymethylidene)-7-methyl-2,3-dihydro-1H-naphthalene
CID 170033793
5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 90783732
[(5Z)-1-methyl-5-octadecanoyloxyimino-7,8-dihydro-6H-naphthalen-2-yl] octadecanoate
CID 6321973
[(5-chloro-2,3-dihydroinden-1-ylidene)amino] acetate
CID 76738695
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 122519285
[(E)-(6-hydroxy-7-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] 2-iodobenzoate
CID 135598854

Frequently Asked Questions

What is the IUPAC name of [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate?
The IUPAC name of [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate (CID 58276056) is [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate.
What is the SMILES notation for [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate?
The canonical SMILES for [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate is CCC(=O)O/N=C1\CCCc2cc(C)ccc21.
What is the InChIKey of [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate?
The InChIKey is OVZXAFLMNNQYEP-FYWRMAATSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-14(16)17-15-13-6-4-5-11-9-10(2)7-8-12(11)13/h7-9H,3-6H2,1-2H3/b15-13+.
What are the key properties of [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate?
[(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate has a molecular weight of 231.29 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(6-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino] propanoate is sourced from PubChem (CID 58276056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).