[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea

C12H14N4O — CID 107236483

IUPAC[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea
SMILESCc1c(/C=N/NC(N)=O)n(C)c2ccccc12
InChIInChI=1S/C12H14N4O/c1-8-9-5-3-4-6-10(9)16(2)11(8)7-14-15-12(13)17/h3-7H,1-2H3,(H3,13,15,17)/b14-7+
InChIKeyNKBBEKHBARHDOS-VGOFMYFVSA-N
MW230.27 g/mol
LogP1.49
Rot. Bonds2

About [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea

[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea (PubChem CID 107236483) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea
PubChem CID107236483
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea
SMILESCc1c(/C=N/NC(N)=O)n(C)c2ccccc12
InChIInChI=1S/C12H14N4O/c1-8-9-5-3-4-6-10(9)16(2)11(8)7-14-15-12(13)17/h3-7H,1-2H3,(H3,13,15,17)/b14-7+
InChIKeyNKBBEKHBARHDOS-VGOFMYFVSA-N
XLogP1.49
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
1-(1,3-dimethylindol-2-yl)-N-prop-1-en-2-ylmethanimine;ethane
CID 145463492
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(Z)-(2-methylimidazo[1,2-a]pyridin-3-yl)methylideneamino]urea
CID 6215773
[(E)-benzylideneamino]urea
CID 6861419
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
[(E)-(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
CID 135685377
[(1-ethyl-4-hydroxy-2-oxoquinolin-3-yl)methylideneamino]urea
CID 135510232
3-(1,3-dimethylindol-2-yl)propa-1,2-dien-1-one
CID 134893149
[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 5425600

Frequently Asked Questions

What is the IUPAC name of [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea?
The IUPAC name of [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea (CID 107236483) is [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea.
What is the SMILES notation for [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea?
The canonical SMILES for [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea is Cc1c(/C=N/NC(N)=O)n(C)c2ccccc12.
What is the InChIKey of [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea?
The InChIKey is NKBBEKHBARHDOS-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-9-5-3-4-6-10(9)16(2)11(8)7-14-15-12(13)17/h3-7H,1-2H3,(H3,13,15,17)/b14-7+.
What are the key properties of [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea?
[(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea has a molecular weight of 230.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1,3-dimethylindol-2-yl)methylideneamino]urea is sourced from PubChem (CID 107236483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).