[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea

C14H12N4O2 — CID 141140540

IUPAC[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1
InChIInChI=1S/C14H12N4O2/c15-14(20)17-9-3-4-10-11(6-8-2-1-5-16-8)13(19)18-12(10)7-9/h1-7,16H,(H,18,19)(H3,15,17,20)
InChIKeyVMMOGFZXZNTQHI-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.00
Rot. Bonds2

About [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea

[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea (PubChem CID 141140540) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea.

Molecular Properties

Compound Name[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea
PubChem CID141140540
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea
SMILESNC(=O)Nc1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1
InChIInChI=1S/C14H12N4O2/c15-14(20)17-9-3-4-10-11(6-8-2-1-5-16-8)13(19)18-12(10)7-9/h1-7,16H,(H,18,19)(H3,15,17,20)
InChIKeyVMMOGFZXZNTQHI-UHFFFAOYSA-N
XLogP2.00
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 154512244
1-[3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-phenylurea
CID 68704684
6-(3-aminoanilino)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 66675409
1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 59397078
4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]carbamoyl]benzamide
CID 140665474
1-(3-chloro-4-fluorophenyl)-3-[3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 68706304
1-(4-chlorophenyl)-3-[4-methyl-3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 24962718
1-(3,4-difluorophenyl)-3-[4-methyl-3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 24957586
1-[3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 24962357
1-cyclopropyl-3-[4-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]phenyl]urea
CID 165416001
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397203
1-(3-ethylphenyl)-3-[4-methyl-3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 68709682

Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea?
The IUPAC name of [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea (CID 141140540) is [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea.
What is the SMILES notation for [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea?
The canonical SMILES for [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea is NC(=O)Nc1ccc2c(c1)NC(=O)C2=Cc1ccc[nH]1.
What is the InChIKey of [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea?
The InChIKey is VMMOGFZXZNTQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-14(20)17-9-3-4-10-11(6-8-2-1-5-16-8)13(19)18-12(10)7-9/h1-7,16H,(H,18,19)(H3,15,17,20).
What are the key properties of [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea?
[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea has a molecular weight of 268.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]urea is sourced from PubChem (CID 141140540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).