(5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea

C10H15ClN2O — CID 70802426

IUPAC(5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea
SMILESCCC1CC=C(CNC(N)=O)C=C1Cl
InChIInChI=1S/C10H15ClN2O/c1-2-8-4-3-7(5-9(8)11)6-13-10(12)14/h3,5,8H,2,4,6H2,1H3,(H3,12,13,14)
InChIKeyCQZJNOXVVAPGHI-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.13
Rot. Bonds3

About (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea

(5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea (PubChem CID 70802426) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea.

Molecular Properties

Compound Name(5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea
PubChem CID70802426
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name(5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea
SMILESCCC1CC=C(CNC(N)=O)C=C1Cl
InChIInChI=1S/C10H15ClN2O/c1-2-8-4-3-7(5-9(8)11)6-13-10(12)14/h3,5,8H,2,4,6H2,1H3,(H3,12,13,14)
InChIKeyCQZJNOXVVAPGHI-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea?
The IUPAC name of (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea (CID 70802426) is (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea.
What is the SMILES notation for (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea?
The canonical SMILES for (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea is CCC1CC=C(CNC(N)=O)C=C1Cl.
What is the InChIKey of (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea?
The InChIKey is CQZJNOXVVAPGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-2-8-4-3-7(5-9(8)11)6-13-10(12)14/h3,5,8H,2,4,6H2,1H3,(H3,12,13,14).
What are the key properties of (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea?
(5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea has a molecular weight of 214.70 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-ethylcyclohexa-1,5-dien-1-yl)methylurea is sourced from PubChem (CID 70802426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).