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

C12H15N3O — CID 121000811

IUPAC[(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea
SMILESCC1/C(=N/NC(N)=O)CCc2ccccc21
InChIInChI=1S/C12H15N3O/c1-8-10-5-3-2-4-9(10)6-7-11(8)14-15-12(13)16/h2-5,8H,6-7H2,1H3,(H3,13,15,16)/b14-11+
InChIKeyHXZCRLSFBFNCPE-SDNWHVSQSA-N
MW217.27 g/mol
LogP1.76
Rot. Bonds1

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

[(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea (PubChem CID 121000811) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is [(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea
PubChem CID121000811
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name[(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea
SMILESCC1/C(=N/NC(N)=O)CCc2ccccc21
InChIInChI=1S/C12H15N3O/c1-8-10-5-3-2-4-9(10)6-7-11(8)14-15-12(13)16/h2-5,8H,6-7H2,1H3,(H3,13,15,16)/b14-11+
InChIKeyHXZCRLSFBFNCPE-SDNWHVSQSA-N
XLogP1.76
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S,3E)-3-(carbamoylhydrazinylidene)-2-methyl-1-phenylcyclopentane-1-carboxylate
CID 7350566
N-[(Z)-(1-amino-1,3-dihydroinden-2-ylidene)amino]acetamide
CID 142935930
[(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea
CID 11825208
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
[(Z)-[(11bS)-1-oxo-3,4,6,7,11b,12-hexahydro-2H-isoquinolino[2,1-a]quinolin-13-ylidene]amino]urea
CID 6546115
[(E)-(3-phenylcyclopent-2-en-1-ylidene)amino]urea
CID 121010699
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
[(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea
CID 98151079
[(2-pyridin-2-ylcyclohexylidene)amino]urea
CID 5146946
[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea
CID 7380767
CID 59914822
CID 59914822

Frequently Asked Questions

What is the IUPAC name of [(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea?
The IUPAC name of [(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea (CID 121000811) is [(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea.
What is the SMILES notation for [(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea?
The canonical SMILES for [(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea is CC1/C(=N/NC(N)=O)CCc2ccccc21.
What is the InChIKey of [(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea?
The InChIKey is HXZCRLSFBFNCPE-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-10-5-3-2-4-9(10)6-7-11(8)14-15-12(13)16/h2-5,8H,6-7H2,1H3,(H3,13,15,16)/b14-11+.
What are the key properties of [(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea?
[(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea has a molecular weight of 217.27 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-methyl-3,4-dihydro-1H-naphthalen-2-ylidene)amino]urea is sourced from PubChem (CID 121000811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).