1,3-di(cyclohepta-2,4,6-trien-1-yl)urea

C15H16N2O — CID 134104947

IUPAC1,3-di(cyclohepta-2,4,6-trien-1-yl)urea
SMILESO=C(NC1C=CC=CC=C1)NC1C=CC=CC=C1
InChIInChI=1S/C15H16N2O/c18-15(16-13-9-5-1-2-6-10-13)17-14-11-7-3-4-8-12-14/h1-14H,(H2,16,17,18)
InChIKeyIOJKXNMQTVPBLX-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.39
Rot. Bonds2

About 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea

1,3-di(cyclohepta-2,4,6-trien-1-yl)urea (PubChem CID 134104947) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea.

Molecular Properties

Compound Name1,3-di(cyclohepta-2,4,6-trien-1-yl)urea
PubChem CID134104947
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1,3-di(cyclohepta-2,4,6-trien-1-yl)urea
SMILESO=C(NC1C=CC=CC=C1)NC1C=CC=CC=C1
InChIInChI=1S/C15H16N2O/c18-15(16-13-9-5-1-2-6-10-13)17-14-11-7-3-4-8-12-14/h1-14H,(H2,16,17,18)
InChIKeyIOJKXNMQTVPBLX-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Cycloheptatrienyl urea
CID 286070
2,3,6-Cycloheptatrienyl urea
CID 129812386
Cyclohexa-2,4-dien-1-ylurea
CID 18187419
1,3-Bis(penta-1,4-dien-3-yl)urea
CID 88606753
1-(1,4-Dimethylcyclohepta-2,4,6-trien-1-yl)-3-methylurea
CID 89087682
1-Methyl-3-(3-propan-2-ylideneocta-4,6-dien-2-yl)urea
CID 91119658
1-Methyl-3-(3-methylidenehepta-4,6-dien-2-yl)urea
CID 91248256
3-Methylhepta-3,5-dien-2-ylurea
CID 123136968
1-Cyclohepta-1,3,6-trien-1-yl-3-methylurea
CID 123438413
Cyclopenta-2,4-dien-1-ylurea
CID 129667605
[(3Z,5Z)-4-methylhepta-3,5-dien-2-yl]urea
CID 139566378
1-Cyclohepta-1,4,6-trien-1-yl-3-methylurea
CID 142207381

Frequently Asked Questions

What is the IUPAC name of 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea?
The IUPAC name of 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea (CID 134104947) is 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea.
What is the SMILES notation for 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea?
The canonical SMILES for 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea is O=C(NC1C=CC=CC=C1)NC1C=CC=CC=C1.
What is the InChIKey of 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea?
The InChIKey is IOJKXNMQTVPBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(16-13-9-5-1-2-6-10-13)17-14-11-7-3-4-8-12-14/h1-14H,(H2,16,17,18).
What are the key properties of 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea?
1,3-di(cyclohepta-2,4,6-trien-1-yl)urea has a molecular weight of 240.31 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(cyclohepta-2,4,6-trien-1-yl)urea is sourced from PubChem (CID 134104947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).